(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C27H31N5O2 — CID 125026063

IUPAC(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1cccnc1
InChIInChI=1S/C27H31N5O2/c1-20-10-11-22(16-23(20)30-18-21-8-6-13-28-17-21)25(33)32-15-7-12-27(19-32,26(34)31(2)3)24-9-4-5-14-29-24/h4-6,8-11,13-14,16-17,30H,7,12,15,18-19H2,1-3H3/t27-/m0/s1
InChIKeyZQWFDNHCOIOXAT-MHZLTWQESA-N
MW457.58 g/mol
LogP3.66
Rot. Bonds6

About (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125026063) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID125026063
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1cccnc1
InChIInChI=1S/C27H31N5O2/c1-20-10-11-22(16-23(20)30-18-21-8-6-13-28-17-21)25(33)32-15-7-12-27(19-32,26(34)31(2)3)24-9-4-5-14-29-24/h4-6,8-11,13-14,16-17,30H,7,12,15,18-19H2,1-3H3/t27-/m0/s1
InChIKeyZQWFDNHCOIOXAT-MHZLTWQESA-N
XLogP3.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151825
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
9-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110151259
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
1-(4-chloro-3-morpholin-4-ylbenzoyl)-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 175659313
[(3R)-3-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-3-methylpiperidin-1-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 124948684
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110151212
[4-methyl-3-(pyridin-3-ylmethylamino)phenyl]-[(4S)-4-(pyrazolo[1,5-a]pyridin-4-ylmethyl)azepan-1-yl]methanone
CID 125021724
(2S)-4-benzyl-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazine-2-carboxamide
CID 129458336
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124942852
(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125026063) is (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@@](C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1cccnc1.
What is the InChIKey of (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZQWFDNHCOIOXAT-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N5O2/c1-20-10-11-22(16-23(20)30-18-21-8-6-13-28-17-21)25(33)32-15-7-12-27(19-32,26(34)31(2)3)24-9-4-5-14-29-24/h4-6,8-11,13-14,16-17,30H,7,12,15,18-19H2,1-3H3/t27-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125026063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).