4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide

C18H21N3O2 — CID 118613034

IUPAC4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OC2CCCCC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C18H21N3O2/c1-13-11-15(23-14-7-3-2-4-8-14)12-16(20-13)18(22)21-17-9-5-6-10-19-17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,21,22)
InChIKeySHVIFHGLGCZXHP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.75
Rot. Bonds4

About 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide

4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 118613034) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID118613034
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OC2CCCCC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C18H21N3O2/c1-13-11-15(23-14-7-3-2-4-8-14)12-16(20-13)18(22)21-17-9-5-6-10-19-17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,21,22)
InChIKeySHVIFHGLGCZXHP-UHFFFAOYSA-N
XLogP3.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
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CID 60197716

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide (CID 118613034) is 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide is Cc1cc(OC2CCCCC2)cc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is SHVIFHGLGCZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-11-15(23-14-7-3-2-4-8-14)12-16(20-13)18(22)21-17-9-5-6-10-19-17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,21,22).
What are the key properties of 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide?
4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-6-methyl-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118613034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).