5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide

C20H29ClN4O — CID 142787899

IUPAC5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide
SMILESCc1nn(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)c(C)c1C
InChIInChI=1S/C20H29ClN4O/c1-12-13(2)24-25(14(12)3)11-16-5-7-17(8-6-16)20(19(22)26)9-18(21)10-23-15(20)4/h9-10,15-17H,5-8,11H2,1-4H3,(H2,22,26)
InChIKeyOQWPTGLWEOTXKF-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.68
Rot. Bonds4

About 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide

5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide (PubChem CID 142787899) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide
PubChem CID142787899
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide
SMILESCc1nn(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)c(C)c1C
InChIInChI=1S/C20H29ClN4O/c1-12-13(2)24-25(14(12)3)11-16-5-7-17(8-6-16)20(19(22)26)9-18(21)10-23-15(20)4/h9-10,15-17H,5-8,11H2,1-4H3,(H2,22,26)
InChIKeyOQWPTGLWEOTXKF-UHFFFAOYSA-N
XLogP3.68
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.68
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-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide (CID 142787899) is 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide is Cc1nn(CC2CCC(C3(C(N)=O)C=C(Cl)C=NC3C)CC2)c(C)c1C.
What is the InChIKey of 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
The InChIKey is OQWPTGLWEOTXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-12-13(2)24-25(14(12)3)11-16-5-7-17(8-6-16)20(19(22)26)9-18(21)10-23-15(20)4/h9-10,15-17H,5-8,11H2,1-4H3,(H2,22,26).
What are the key properties of 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide?
5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]cyclohexyl]-2H-pyridine-3-carboxamide is sourced from PubChem (CID 142787899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).