1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

C21H22N4O2 — CID 51123650

IUPAC1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCn1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-24-14-17(16-6-2-3-7-18(16)24)21(27)25-12-9-15(10-13-25)20(26)23-19-8-4-5-11-22-19/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyKPVHIKNLAQDEFS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds3

About 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide

1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 51123650) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID51123650
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCn1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C21H22N4O2/c1-24-14-17(16-6-2-3-7-18(16)24)21(27)25-12-9-15(10-13-25)20(26)23-19-8-4-5-11-22-19/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,22,23,26)
InChIKeyKPVHIKNLAQDEFS-UHFFFAOYSA-N
XLogP3.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
(1-methylindol-3-yl)-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118777346
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808184
1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246623
(3R)-1-(1-methylbenzimidazole-5-carbonyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633265
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide (CID 51123650) is 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is Cn1cc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is KPVHIKNLAQDEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-14-17(16-6-2-3-7-18(16)24)21(27)25-12-9-15(10-13-25)20(26)23-19-8-4-5-11-22-19/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,22,23,26).
What are the key properties of 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide?
1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindole-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 51123650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).