2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide

C22H20N4O — CID 109173692

IUPAC2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C22H20N4O/c27-22(24-13-11-17-15-25-20-9-5-4-8-19(17)20)16-10-12-23-21(14-16)26-18-6-2-1-3-7-18/h1-10,12,14-15,25H,11,13H2,(H,23,26)(H,24,27)
InChIKeyPGMIERHLIJLVFO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.28
Rot. Bonds6

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

2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 109173692) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID109173692
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2ccccc2)c1
InChIInChI=1S/C22H20N4O/c27-22(24-13-11-17-15-25-20-9-5-4-8-19(17)20)16-10-12-23-21(14-16)26-18-6-2-1-3-7-18/h1-10,12,14-15,25H,11,13H2,(H,23,26)(H,24,27)
InChIKeyPGMIERHLIJLVFO-UHFFFAOYSA-N
XLogP4.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109173719
2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
2-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109170646
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyridine-4-carboxamide
CID 109167678
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
2-imidazol-1-yl-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 51089952
2-[2-(1H-indol-3-yl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171814
2-[2-(1H-indol-3-yl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109173732

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide (CID 109173692) is 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccnc(Nc2ccccc2)c1.
What is the InChIKey of 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is PGMIERHLIJLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(24-13-11-17-15-25-20-9-5-4-8-19(17)20)16-10-12-23-21(14-16)26-18-6-2-1-3-7-18/h1-10,12,14-15,25H,11,13H2,(H,23,26)(H,24,27).
What are the key properties of 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide?
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109173692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).