3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide

C21H23ClN4O2 — CID 78815960

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C21H23ClN4O2/c1-12-6-8-18(28-5)16(10-12)15(4)23-21(27)20-17(22)7-9-19(24-20)26-14(3)11-13(2)25-26/h6-11,15H,1-5H3,(H,23,27)
InChIKeyFHMOZEAJQWAPCC-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.35
Rot. Bonds5

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 78815960) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID78815960
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C21H23ClN4O2/c1-12-6-8-18(28-5)16(10-12)15(4)23-21(27)20-17(22)7-9-19(24-20)26-14(3)11-13(2)25-26/h6-11,15H,1-5H3,(H,23,27)
InChIKeyFHMOZEAJQWAPCC-UHFFFAOYSA-N
XLogP4.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78813142
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
(2S)-2-[[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]amino]hexanoic acid
CID 120614853
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305321
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55400649
(3-methylphenyl)methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55305390
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide (CID 78815960) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is FHMOZEAJQWAPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-12-6-8-18(28-5)16(10-12)15(4)23-21(27)20-17(22)7-9-19(24-20)26-14(3)11-13(2)25-26/h6-11,15H,1-5H3,(H,23,27).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 78815960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).