1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C26H27N5O2 — CID 133319017

IUPAC1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3ncccc3C(=O)N3CCc4ccccc43)C2)nc1
InChIInChI=1S/C26H27N5O2/c1-18-10-11-23(28-16-18)29-25(32)20-7-5-14-30(17-20)24-21(8-4-13-27-24)26(33)31-15-12-19-6-2-3-9-22(19)31/h2-4,6,8-11,13,16,20H,5,7,12,14-15,17H2,1H3,(H,28,29,32)
InChIKeyVVUCEYYTMTUCAN-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.84
Rot. Bonds4

About 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 133319017) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID133319017
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3ncccc3C(=O)N3CCc4ccccc43)C2)nc1
InChIInChI=1S/C26H27N5O2/c1-18-10-11-23(28-16-18)29-25(32)20-7-5-14-30(17-20)24-21(8-4-13-27-24)26(33)31-15-12-19-6-2-3-9-22(19)31/h2-4,6,8-11,13,16,20H,5,7,12,14-15,17H2,1H3,(H,28,29,32)
InChIKeyVVUCEYYTMTUCAN-UHFFFAOYSA-N
XLogP3.84
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 133397709
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 98681913
N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide
CID 119032334
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 108505780
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
CID 133366904
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 133319017) is 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3ncccc3C(=O)N3CCc4ccccc43)C2)nc1.
What is the InChIKey of 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is VVUCEYYTMTUCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-10-11-23(28-16-18)29-25(32)20-7-5-14-30(17-20)24-21(8-4-13-27-24)26(33)31-15-12-19-6-2-3-9-22(19)31/h2-4,6,8-11,13,16,20H,5,7,12,14-15,17H2,1H3,(H,28,29,32).
What are the key properties of 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 133319017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).