N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide

C23H23N5O — CID 109261301

IUPACN-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3c[nH]c4ccccc34)nc2)c1C
InChIInChI=1S/C23H23N5O/c1-15-6-5-9-20(16(15)2)28-22(29)18-13-26-23(27-14-18)24-11-10-17-12-25-21-8-4-3-7-19(17)21/h3-9,12-14,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)
InChIKeyOJZBYLXEXKMLHX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.48
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109261301) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109261301
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NCCc3c[nH]c4ccccc34)nc2)c1C
InChIInChI=1S/C23H23N5O/c1-15-6-5-9-20(16(15)2)28-22(29)18-13-26-23(27-14-18)24-11-10-17-12-25-21-8-4-3-7-19(17)21/h3-9,12-14,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)
InChIKeyOJZBYLXEXKMLHX-UHFFFAOYSA-N
XLogP4.48
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109247309
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide (CID 109261301) is N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(NCCc3c[nH]c4ccccc34)nc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is OJZBYLXEXKMLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-6-5-9-20(16(15)2)28-22(29)18-13-26-23(27-14-18)24-11-10-17-12-25-21-8-4-3-7-19(17)21/h3-9,12-14,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109261301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).