5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

C17H25ClN4O2 — CID 133278205

IUPAC5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C17H25ClN4O2/c1-3-5-11(2)21-17(24)12-6-4-7-22(10-12)16-14(18)8-13(9-20-16)15(19)23/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyYECHXMGEQDNQNS-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.36
Rot. Bonds6

About 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133278205) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133278205
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(c2ncc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C17H25ClN4O2/c1-3-5-11(2)21-17(24)12-6-4-7-22(10-12)16-14(18)8-13(9-20-16)15(19)23/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,24)
InChIKeyYECHXMGEQDNQNS-UHFFFAOYSA-N
XLogP2.36
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
1-(5-bromo-2-pyridinyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133270425
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 61404189
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 71978493
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (CID 133278205) is 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(c2ncc(C(N)=O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YECHXMGEQDNQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-3-5-11(2)21-17(24)12-6-4-7-22(10-12)16-14(18)8-13(9-20-16)15(19)23/h8-9,11-12H,3-7,10H2,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133278205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).