6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide

C106H129ClF2N20O6 — CID 158483357

IUPAC6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1C.Cc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(Cl)c1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(F)c1.Cc1cccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c1
InChIInChI=1S/C22H28N4O2.C21H25ClN4O.2C21H25FN4O.C21H26N4O/c1-14-5-6-16(12-21(14)28-2)15-7-8-17-11-20(26-19(17)10-15)22(27)25-13-18(24)4-3-9-23;2*1-13-4-7-17(18(22)9-13)14-5-6-15-11-20(26-19(15)10-14)21(27)25-12-16(24)3-2-8-23;1-13-9-14(6-7-18(13)22)15-4-5-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-14-4-2-5-15(10-14)16-7-8-17-12-20(25-19(17)11-16)21(26)24-13-18(23)6-3-9-22/h5-8,10-12,18,26H,3-4,9,13,23-24H2,1-2H3,(H,25,27);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);2,4-5,7-8,10-12,18,25H,3,6,9,13,22-23H2,1H3,(H,24,26)/t18-;2*16-;17-;18-/m00000/s1
InChIKeyHHUHGIRCKJIRIS-KURYEKSGSA-N
MW1852.78 g/mol
LogP15.64
Rot. Bonds36

About 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide

6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 158483357) has the molecular formula C106H129ClF2N20O6 and a molecular weight of 1852.78 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide
PubChem CID158483357
Molecular FormulaC106H129ClF2N20O6
Molecular Weight1852.78 g/mol
Exact Mass1851.01
IUPAC Name6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCOc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1C.Cc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(Cl)c1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(F)c1.Cc1cccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c1
InChIInChI=1S/C22H28N4O2.C21H25ClN4O.2C21H25FN4O.C21H26N4O/c1-14-5-6-16(12-21(14)28-2)15-7-8-17-11-20(26-19(17)10-15)22(27)25-13-18(24)4-3-9-23;2*1-13-4-7-17(18(22)9-13)14-5-6-15-11-20(26-19(15)10-14)21(27)25-12-16(24)3-2-8-23;1-13-9-14(6-7-18(13)22)15-4-5-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-14-4-2-5-15(10-14)16-7-8-17-12-20(25-19(17)11-16)21(26)24-13-18(23)6-3-9-22/h5-8,10-12,18,26H,3-4,9,13,23-24H2,1-2H3,(H,25,27);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);2,4-5,7-8,10-12,18,25H,3,6,9,13,22-23H2,1H3,(H,24,26)/t18-;2*16-;17-;18-/m00000/s1
InChIKeyHHUHGIRCKJIRIS-KURYEKSGSA-N
XLogP15.64
TPSA493.88 Ų
H-Bond Donors20
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001852.78
LogP ≤ 515.64
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1016

Analyze 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide (CID 158483357) is 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide is COc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1C.Cc1cc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)ccc1F.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(Cl)c1.Cc1ccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c(F)c1.Cc1cccc(-c2ccc3cc(C(=O)NC[C@@H](N)CCCN)[nH]c3c2)c1.
What is the InChIKey of 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is HHUHGIRCKJIRIS-KURYEKSGSA-N. The full InChI is InChI=1S/C22H28N4O2.C21H25ClN4O.2C21H25FN4O.C21H26N4O/c1-14-5-6-16(12-21(14)28-2)15-7-8-17-11-20(26-19(17)10-15)22(27)25-13-18(24)4-3-9-23;2*1-13-4-7-17(18(22)9-13)14-5-6-15-11-20(26-19(15)10-14)21(27)25-12-16(24)3-2-8-23;1-13-9-14(6-7-18(13)22)15-4-5-16-11-20(26-19(16)10-15)21(27)25-12-17(24)3-2-8-23;1-14-4-2-5-15(10-14)16-7-8-17-12-20(25-19(17)11-16)21(26)24-13-18(23)6-3-9-22/h5-8,10-12,18,26H,3-4,9,13,23-24H2,1-2H3,(H,25,27);2*4-7,9-11,16,26H,2-3,8,12,23-24H2,1H3,(H,25,27);4-7,9-11,17,26H,2-3,8,12,23-24H2,1H3,(H,25,27);2,4-5,7-8,10-12,18,25H,3,6,9,13,22-23H2,1H3,(H,24,26)/t18-;2*16-;17-;18-/m00000/s1.
What are the key properties of 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide?
6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 1852.78 g/mol, XLogP of 15.64, 36 rotatable bonds, 20 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(2-fluoro-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methoxy-4-methylphenyl)-1H-indole-2-carboxamide;N-[(2S)-2,5-diaminopentyl]-6-(3-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158483357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).