(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

C26H29N5O3 — CID 124983995

IUPAC(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1
InChIInChI=1S/C26H29N5O3/c1-30(2)25(33)26(22-9-4-5-15-27-22)14-7-17-31(18-26)24(32)21-8-6-16-28-23(21)29-19-10-12-20(34-3)13-11-19/h4-6,8-13,15-16H,7,14,17-18H2,1-3H3,(H,28,29)/t26-/m0/s1
InChIKeyNHQOTXPYYQXEGO-SANMLTNESA-N
MW459.55 g/mol
LogP3.49
Rot. Bonds6

About (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124983995) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124983995
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1
InChIInChI=1S/C26H29N5O3/c1-30(2)25(33)26(22-9-4-5-15-27-22)14-7-17-31(18-26)24(32)21-8-6-16-28-23(21)29-19-10-12-20(34-3)13-11-19/h4-6,8-13,15-16H,7,14,17-18H2,1-3H3,(H,28,29)/t26-/m0/s1
InChIKeyNHQOTXPYYQXEGO-SANMLTNESA-N
XLogP3.49
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
N,N-dimethyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151952
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026063
N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151825
1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 175659313
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 46974434
[2-(3-fluoroanilino)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55955807
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
(2S)-4-benzyl-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 129455052

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124983995) is (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1.
What is the InChIKey of (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is NHQOTXPYYQXEGO-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N5O3/c1-30(2)25(33)26(22-9-4-5-15-27-22)14-7-17-31(18-26)24(32)21-8-6-16-28-23(21)29-19-10-12-20(34-3)13-11-19/h4-6,8-13,15-16H,7,14,17-18H2,1-3H3,(H,28,29)/t26-/m0/s1.
What are the key properties of (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124983995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).