N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide

C18H19N5O — CID 118227108

IUPACN-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N5O/c24-18(14-2-1-13-5-6-20-16(13)11-14)22-15-3-4-17(21-12-15)23-9-7-19-8-10-23/h1-6,11-12,19-20H,7-10H2,(H,22,24)
InChIKeyZGAVBCYYAWSJKU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.22
Rot. Bonds3

About N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide

N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide (PubChem CID 118227108) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
PubChem CID118227108
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N5O/c24-18(14-2-1-13-5-6-20-16(13)11-14)22-15-3-4-17(21-12-15)23-9-7-19-8-10-23/h1-6,11-12,19-20H,7-10H2,(H,22,24)
InChIKeyZGAVBCYYAWSJKU-UHFFFAOYSA-N
XLogP2.22
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63750401
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-(2-methyl-1,2,4-triazol-3-yl)-1H-indole-6-carboxamide
CID 80709605
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1H-indole-6-carboxamide
CID 71809682
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951

Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide (CID 118227108) is N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide is O=C(Nc1ccc(N2CCNCC2)nc1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide?
The InChIKey is ZGAVBCYYAWSJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(14-2-1-13-5-6-20-16(13)11-14)22-15-3-4-17(21-12-15)23-9-7-19-8-10-23/h1-6,11-12,19-20H,7-10H2,(H,22,24).
What are the key properties of N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide?
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 118227108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).