N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C25H28Cl2N4O2 — CID 67062031

IUPACN-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc(C2CCNCC2C(=O)N(Cc2cc(CCC#N)cc(Cl)c2Cl)C2CC2)cc1=O
InChIInChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3
InChIKeySBUZQQVTBNOWMS-UHFFFAOYSA-N
MW487.43 g/mol
LogP4.03
Rot. Bonds7

About N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 67062031) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID67062031
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.43 g/mol
Exact Mass486.16
IUPAC NameN-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc(C2CCNCC2C(=O)N(Cc2cc(CCC#N)cc(Cl)c2Cl)C2CC2)cc1=O
InChIInChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3
InChIKeySBUZQQVTBNOWMS-UHFFFAOYSA-N
XLogP4.03
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2,3-dichloro-5-(3-cyanopropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062226
ethyl N-[2-[3,4-dichloro-5-[[cyclopropyl-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carbonyl]amino]methyl]phenyl]ethyl]carbamate
CID 77496585
(3R)-N-cyclopropyl-N-[[2,3-dichloro-5-(2-methoxyethylamino)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170889
(4S)-N-[[2-chloro-5-(2-methoxyethoxy)phenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 147117031
(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 58170916
(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170861
(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170874
(3S,4R)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062218
(3R)-N-butan-2-yl-N-[[2-chloro-3,5-bis(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 147324269
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide;hydrochloride
CID 66896692
N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061950
(3S,4R)-N-cyclopropyl-N-[[3-(2-cyclopropyloxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66896625

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 67062031) is N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is Cn1ccc(C2CCNCC2C(=O)N(Cc2cc(CCC#N)cc(Cl)c2Cl)C2CC2)cc1=O.
What is the InChIKey of N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is SBUZQQVTBNOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O2/c1-30-10-7-17(13-23(30)32)20-6-9-29-14-21(20)25(33)31(19-4-5-19)15-18-11-16(3-2-8-28)12-22(26)24(18)27/h7,10-13,19-21,29H,2-6,9,14-15H2,1H3.
What are the key properties of N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 487.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 67062031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).