1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C25H27N5O3 — CID 110151518

IUPAC1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)c2cccnc2Nc2cccc(OC)c2)C1
InChIInChI=1S/C25H27N5O3/c1-26-24(32)25(21-11-3-4-13-27-21)12-7-15-30(17-25)23(31)20-10-6-14-28-22(20)29-18-8-5-9-19(16-18)33-2/h3-6,8-11,13-14,16H,7,12,15,17H2,1-2H3,(H,26,32)(H,28,29)
InChIKeyBWLLXHZIBRYSQE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 110151518) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID110151518
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)c2cccnc2Nc2cccc(OC)c2)C1
InChIInChI=1S/C25H27N5O3/c1-26-24(32)25(21-11-3-4-13-27-21)12-7-15-30(17-25)23(31)20-10-6-14-28-22(20)29-18-8-5-9-19(16-18)33-2/h3-6,8-11,13-14,16H,7,12,15,17H2,1-2H3,(H,26,32)(H,28,29)
InChIKeyBWLLXHZIBRYSQE-UHFFFAOYSA-N
XLogP3.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983995
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434
1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
1-[(4S)-1-[2-(3-methoxyanilino)pyridine-3-carbonyl]azepan-4-yl]-N-methylpyrazole-4-carboxamide
CID 124999126
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
3-[4-[2-(3-methoxyanilino)pyridine-3-carbonyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110150714
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 110151518) is 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)C1(c2ccccn2)CCCN(C(=O)c2cccnc2Nc2cccc(OC)c2)C1.
What is the InChIKey of 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is BWLLXHZIBRYSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-26-24(32)25(21-11-3-4-13-27-21)12-7-15-30(17-25)23(31)20-10-6-14-28-22(20)29-18-8-5-9-19(16-18)33-2/h3-6,8-11,13-14,16H,7,12,15,17H2,1-2H3,(H,26,32)(H,28,29).
What are the key properties of 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110151518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).