N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C21H25ClN4O — CID 112811193

IUPACN-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3C4CC5CC(C4)CC3C5)n2)n1
InChIInChI=1S/C21H25ClN4O/c1-11-5-12(2)26(25-11)18-4-3-17(22)20(23-18)21(27)24-19-15-7-13-6-14(9-15)10-16(19)8-13/h3-5,13-16,19H,6-10H2,1-2H3,(H,24,27)
InChIKeyGAMUWAUMVUFDDL-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.09
Rot. Bonds3

About N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 112811193) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID112811193
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3C4CC5CC(C4)CC3C5)n2)n1
InChIInChI=1S/C21H25ClN4O/c1-11-5-12(2)26(25-11)18-4-3-17(22)20(23-18)21(27)24-19-15-7-13-6-14(9-15)10-16(19)8-13/h3-5,13-16,19H,6-10H2,1-2H3,(H,24,27)
InChIKeyGAMUWAUMVUFDDL-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 112826428
N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784955
3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 138998057
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 78901571

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 112811193) is N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3C4CC5CC(C4)CC3C5)n2)n1.
What is the InChIKey of N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is GAMUWAUMVUFDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-11-5-12(2)26(25-11)18-4-3-17(22)20(23-18)21(27)24-19-15-7-13-6-14(9-15)10-16(19)8-13/h3-5,13-16,19H,6-10H2,1-2H3,(H,24,27).
What are the key properties of N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112811193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).