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

C27H31N5O2 — CID 110151825

IUPACN,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1ccncc1
InChIInChI=1S/C27H31N5O2/c1-20-8-9-22(17-23(20)30-18-21-10-14-28-15-11-21)25(33)32-16-6-12-27(19-32,26(34)31(2)3)24-7-4-5-13-29-24/h4-5,7-11,13-15,17,30H,6,12,16,18-19H2,1-3H3
InChIKeyIVXHZWSJCIKZRW-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.66
Rot. Bonds6

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

N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 110151825) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID110151825
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1ccncc1
InChIInChI=1S/C27H31N5O2/c1-20-8-9-22(17-23(20)30-18-21-10-14-28-15-11-21)25(33)32-16-6-12-27(19-32,26(34)31(2)3)24-7-4-5-13-29-24/h4-5,7-11,13-15,17,30H,6,12,16,18-19H2,1-3H3
InChIKeyIVXHZWSJCIKZRW-UHFFFAOYSA-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

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Related Compounds

(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-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124942852
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
(3R)-1-[4-(3,5-dimethylphenyl)oxane-4-carbonyl]-N,N-dimethyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124966660
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124949141
N,N-dimethyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151952
N-methyl-3-[1-methyl-4-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-2-yl]benzamide
CID 110151359
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 110151825) is N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)N(C)C)(c3ccccn3)C2)cc1NCc1ccncc1.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is IVXHZWSJCIKZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-20-8-9-22(17-23(20)30-18-21-10-14-28-15-11-21)25(33)32-16-6-12-27(19-32,26(34)31(2)3)24-7-4-5-13-29-24/h4-5,7-11,13-15,17,30H,6,12,16,18-19H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
N,N-dimethyl-1-[4-methyl-3-(pyridin-4-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 N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110151825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).