1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C17H18BrClN4O — CID 133359803

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18BrClN4O/c1-11-8-13(18)9-21-16(11)23-6-4-12(5-7-23)17(24)22-15-3-2-14(19)10-20-15/h2-3,8-10,12H,4-7H2,1H3,(H,20,22,24)
InChIKeyCMPBOMMWUOPMIY-UHFFFAOYSA-N
MW409.72 g/mol
LogP4.06
Rot. Bonds3

About 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 133359803) has the molecular formula C17H18BrClN4O and a molecular weight of 409.72 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID133359803
Molecular FormulaC17H18BrClN4O
Molecular Weight409.72 g/mol
Exact Mass408.04
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1cc(Br)cnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H18BrClN4O/c1-11-8-13(18)9-21-16(11)23-6-4-12(5-7-23)17(24)22-15-3-2-14(19)10-20-15/h2-3,8-10,12H,4-7H2,1H3,(H,20,22,24)
InChIKeyCMPBOMMWUOPMIY-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.72
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-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

1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N-(5-chloro-2-pyridinyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 126794223
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
N-(4-bromo-2-methoxy-6-methylphenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60581329
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 47066466

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 133359803) is 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is Cc1cc(Br)cnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CMPBOMMWUOPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN4O/c1-11-8-13(18)9-21-16(11)23-6-4-12(5-7-23)17(24)22-15-3-2-14(19)10-20-15/h2-3,8-10,12H,4-7H2,1H3,(H,20,22,24).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 409.72 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 133359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).