2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide

C23H22N4O — CID 109173732

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C23H22N4O/c1-16-5-4-6-19(13-16)27-23(28)17-9-11-24-22(14-17)25-12-10-18-15-26-21-8-3-2-7-20(18)21/h2-9,11,13-15,26H,10,12H2,1H3,(H,24,25)(H,27,28)
InChIKeyYFOCMKOIZAVHRK-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.78
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide

2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 109173732) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID109173732
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NCCc3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C23H22N4O/c1-16-5-4-6-19(13-16)27-23(28)17-9-11-24-22(14-17)25-12-10-18-15-26-21-8-3-2-7-20(18)21/h2-9,11,13-15,26H,10,12H2,1H3,(H,24,25)(H,27,28)
InChIKeyYFOCMKOIZAVHRK-UHFFFAOYSA-N
XLogP4.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
N-(2-cyanophenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109173760
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134
N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299
N-(3,5-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215354
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352226
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide (CID 109173732) is 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(NCCc3c[nH]c4ccccc34)c2)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is YFOCMKOIZAVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-5-4-6-19(13-16)27-23(28)17-9-11-24-22(14-17)25-12-10-18-15-26-21-8-3-2-7-20(18)21/h2-9,11,13-15,26H,10,12H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).