6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

C22H19ClN4O — CID 109159757

IUPAC6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H19ClN4O/c23-17-6-8-18(9-7-17)27-21-10-5-16(14-26-21)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28)(H,26,27)
InChIKeyQGYQCHZZMQOUHY-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.93
Rot. Bonds6

About 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide

6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 109159757) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID109159757
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H19ClN4O/c23-17-6-8-18(9-7-17)27-21-10-5-16(14-26-21)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28)(H,26,27)
InChIKeyQGYQCHZZMQOUHY-UHFFFAOYSA-N
XLogP4.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
6-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159765
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
6-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109152401
6-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159738
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193540
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide (CID 109159757) is 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QGYQCHZZMQOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-17-6-8-18(9-7-17)27-21-10-5-16(14-26-21)22(28)24-12-11-15-13-25-20-4-2-1-3-19(15)20/h1-10,13-14,25H,11-12H2,(H,24,28)(H,26,27).
What are the key properties of 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide?
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).