1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide

C116H102N30O7 — CID 159034742

IUPAC1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2-c1ccnc(N)n1.Nc1nccc(-n2ccc3c(C(=O)NCCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)Nc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)Cc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)c4ccccc4)ccc32)n1
InChIInChI=1S/C21H19N5O.2C20H17N5O.2C19H15N5O.C17H19N5O2/c22-21-24-13-10-19(25-21)26-14-11-16-17(7-4-8-18(16)26)20(27)23-12-9-15-5-2-1-3-6-15;21-20-22-11-9-18(24-20)25-12-10-15-16(7-4-8-17(15)25)19(26)23-13-14-5-2-1-3-6-14;21-20-22-10-8-18(24-20)25-11-9-15-13-16(6-7-17(15)25)23-19(26)12-14-4-2-1-3-5-14;20-19-21-11-9-17(23-19)24-12-10-14-15(7-4-8-16(14)24)18(25)22-13-5-2-1-3-6-13;20-19-21-10-8-17(23-19)24-11-9-14-12-15(6-7-16(14)24)22-18(25)13-4-2-1-3-5-13;1-11(23)19-7-5-12-10-22(16-6-8-20-17(18)21-16)15-4-3-13(24-2)9-14(12)15/h1-8,10-11,13-14H,9,12H2,(H,23,27)(H2,22,24,25);1-12H,13H2,(H,23,26)(H2,21,22,24);1-11,13H,12H2,(H,23,26)(H2,21,22,24);2*1-12H,(H,22,25)(H2,20,21,23);3-4,6,8-10H,5,7H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyJVHZPEMMQPGYRR-UHFFFAOYSA-N
MW2028.29 g/mol
LogP17.29
Rot. Bonds24

About 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide

1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide (PubChem CID 159034742) has the molecular formula C116H102N30O7 and a molecular weight of 2028.29 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide
PubChem CID159034742
Molecular FormulaC116H102N30O7
Molecular Weight2028.29 g/mol
Exact Mass2026.85
IUPAC Name1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)cn2-c1ccnc(N)n1.Nc1nccc(-n2ccc3c(C(=O)NCCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)Nc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)Cc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)c4ccccc4)ccc32)n1
InChIInChI=1S/C21H19N5O.2C20H17N5O.2C19H15N5O.C17H19N5O2/c22-21-24-13-10-19(25-21)26-14-11-16-17(7-4-8-18(16)26)20(27)23-12-9-15-5-2-1-3-6-15;21-20-22-11-9-18(24-20)25-12-10-15-16(7-4-8-17(15)25)19(26)23-13-14-5-2-1-3-6-14;21-20-22-10-8-18(24-20)25-11-9-15-13-16(6-7-17(15)25)23-19(26)12-14-4-2-1-3-5-14;20-19-21-11-9-17(23-19)24-12-10-14-15(7-4-8-16(14)24)18(25)22-13-5-2-1-3-6-13;20-19-21-10-8-17(23-19)24-11-9-14-12-15(6-7-16(14)24)22-18(25)13-4-2-1-3-5-13;1-11(23)19-7-5-12-10-22(16-6-8-20-17(18)21-16)15-4-3-13(24-2)9-14(12)15/h1-8,10-11,13-14H,9,12H2,(H,23,27)(H2,22,24,25);1-12H,13H2,(H,23,26)(H2,21,22,24);1-11,13H,12H2,(H,23,26)(H2,21,22,24);2*1-12H,(H,22,25)(H2,20,21,23);3-4,6,8-10H,5,7H2,1-2H3,(H,19,23)(H2,18,20,21)
InChIKeyJVHZPEMMQPGYRR-UHFFFAOYSA-N
XLogP17.29
TPSA524.21 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002028.29
LogP ≤ 517.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide with MolForge

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Related Compounds

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1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
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2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
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N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
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N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
CID 143592435
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
[3-[[4-[[(4-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
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N-benzyl-3-[(4-methoxyphenyl)carbamothioylamino]benzamide
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4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide (CID 159034742) is 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide is COc1ccc2c(c1)c(CCNC(C)=O)cn2-c1ccnc(N)n1.Nc1nccc(-n2ccc3c(C(=O)NCCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)NCc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3c(C(=O)Nc4ccccc4)cccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)Cc4ccccc4)ccc32)n1.Nc1nccc(-n2ccc3cc(NC(=O)c4ccccc4)ccc32)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide?
The InChIKey is JVHZPEMMQPGYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.2C20H17N5O.2C19H15N5O.C17H19N5O2/c22-21-24-13-10-19(25-21)26-14-11-16-17(7-4-8-18(16)26)20(27)23-12-9-15-5-2-1-3-6-15;21-20-22-11-9-18(24-20)25-12-10-15-16(7-4-8-17(15)25)19(26)23-13-14-5-2-1-3-6-14;21-20-22-10-8-18(24-20)25-11-9-15-13-16(6-7-17(15)25)23-19(26)12-14-4-2-1-3-5-14;20-19-21-11-9-17(23-19)24-12-10-14-15(7-4-8-16(14)24)18(25)22-13-5-2-1-3-6-13;20-19-21-10-8-17(23-19)24-11-9-14-12-15(6-7-16(14)24)22-18(25)13-4-2-1-3-5-13;1-11(23)19-7-5-12-10-22(16-6-8-20-17(18)21-16)15-4-3-13(24-2)9-14(12)15/h1-8,10-11,13-14H,9,12H2,(H,23,27)(H2,22,24,25);1-12H,13H2,(H,23,26)(H2,21,22,24);1-11,13H,12H2,(H,23,26)(H2,21,22,24);2*1-12H,(H,22,25)(H2,20,21,23);3-4,6,8-10H,5,7H2,1-2H3,(H,19,23)(H2,18,20,21).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide?
1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide has a molecular weight of 2028.29 g/mol, XLogP of 17.29, 24 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-N-benzylindole-4-carboxamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]benzamide;N-[1-(2-aminopyrimidin-4-yl)indol-5-yl]-2-phenylacetamide;N-[2-[1-(2-aminopyrimidin-4-yl)-5-methoxyindol-3-yl]ethyl]acetamide;1-(2-aminopyrimidin-4-yl)-N-(2-phenylethyl)indole-4-carboxamide;1-(2-aminopyrimidin-4-yl)-N-phenylindole-4-carboxamide is sourced from PubChem (CID 159034742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).