3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide

C18H17ClN4O2 — CID 167792754

IUPAC3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-3-25-16-10-9-14(19)17(21-16)18(24)20-15-11-12(2)22-23(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyLBABSGYVAMNOAS-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.88
Rot. Bonds5

About 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide

3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 167792754) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID167792754
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)n1
InChIInChI=1S/C18H17ClN4O2/c1-3-25-16-10-9-14(19)17(21-16)18(24)20-15-11-12(2)22-23(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,24)
InChIKeyLBABSGYVAMNOAS-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138993580
3-chloro-6-ethoxy-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 47378058
2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
N-(2-bromophenyl)-3-chloro-6-ethoxypyridine-2-carboxamide
CID 47390539
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 139003737
7-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 108804103
ethyl 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]but-2-enoate
CID 2888865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide (CID 167792754) is 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is LBABSGYVAMNOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-3-25-16-10-9-14(19)17(21-16)18(24)20-15-11-12(2)22-23(15)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,24).
What are the key properties of 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167792754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).