5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

C24H27ClN4O — CID 53358605

IUPAC5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2nc(-c3ccccc3)cc2C)CC1
InChIInChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30)
InChIKeyUTRUIFXMYSIHGC-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.20
Rot. Bonds5

About 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 53358605) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID53358605
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(Cn2nc(-c3ccccc3)cc2C)CC1
InChIInChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30)
InChIKeyUTRUIFXMYSIHGC-UHFFFAOYSA-N
XLogP5.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide (CID 53358605) is 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2nc(-c3ccccc3)cc2C)CC1.
What is the InChIKey of 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is UTRUIFXMYSIHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16-12-23(19-6-4-3-5-7-19)28-29(16)15-18-8-10-21(11-9-18)27-24(30)22-13-20(25)14-26-17(22)2/h3-7,12-14,18,21H,8-11,15H2,1-2H3,(H,27,30).
What are the key properties of 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 422.96 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 53358605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).