N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

C17H19BrN6O — CID 172900633

IUPACN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncc(Br)cc3C#N)C2)nn1C
InChIInChI=1S/C17H19BrN6O/c1-11-6-15(22-23(11)2)17(25)21-14-4-3-5-24(10-14)16-12(8-19)7-13(18)9-20-16/h6-7,9,14H,3-5,10H2,1-2H3,(H,21,25)
InChIKeySFPRMAQARAJIHA-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide

N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 172900633) has the molecular formula C17H19BrN6O and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID172900633
Molecular FormulaC17H19BrN6O
Molecular Weight403.28 g/mol
Exact Mass402.08
IUPAC NameN-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3ncc(Br)cc3C#N)C2)nn1C
InChIInChI=1S/C17H19BrN6O/c1-11-6-15(22-23(11)2)17(25)21-14-4-3-5-24(10-14)16-12(8-19)7-13(18)9-20-16/h6-7,9,14H,3-5,10H2,1-2H3,(H,21,25)
InChIKeySFPRMAQARAJIHA-UHFFFAOYSA-N
XLogP2.16
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
1,5-dimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-3-yl)pyrazole-3-carboxamide
CID 175650497
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
1,5-dimethyl-N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172903005
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172899622
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171994912
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide (CID 172900633) is N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3ncc(Br)cc3C#N)C2)nn1C.
What is the InChIKey of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SFPRMAQARAJIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O/c1-11-6-15(22-23(11)2)17(25)21-14-4-3-5-24(10-14)16-12(8-19)7-13(18)9-20-16/h6-7,9,14H,3-5,10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide?
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172900633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).