2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide

C22H23N3O — CID 118279658

IUPAC2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(CC2CCCCC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C22H23N3O/c23-22(26)20-14-18(12-15-4-2-1-3-5-15)25-21-7-6-17(13-19(20)21)16-8-10-24-11-9-16/h6-11,13-15H,1-5,12H2,(H2,23,26)
InChIKeyXZUTUKJWKZXGAB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.52
Rot. Bonds4

About 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide

2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 118279658) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide
PubChem CID118279658
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(CC2CCCCC2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C22H23N3O/c23-22(26)20-14-18(12-15-4-2-1-3-5-15)25-21-7-6-17(13-19(20)21)16-8-10-24-11-9-16/h6-11,13-15H,1-5,12H2,(H2,23,26)
InChIKeyXZUTUKJWKZXGAB-UHFFFAOYSA-N
XLogP4.52
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide (CID 118279658) is 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide is NC(=O)c1cc(CC2CCCCC2)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is XZUTUKJWKZXGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c23-22(26)20-14-18(12-15-4-2-1-3-5-15)25-21-7-6-17(13-19(20)21)16-8-10-24-11-9-16/h6-11,13-15H,1-5,12H2,(H2,23,26).
What are the key properties of 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide?
2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 118279658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).