4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide

C24H25ClN2O2 — CID 88874061

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCCCC2)cc(Cc2ccc(Cl)nc2)c2ccccc12
InChIInChI=1S/C24H25ClN2O2/c1-29-23-20-10-6-5-9-19(20)17(13-16-11-12-22(25)26-15-16)14-21(23)24(28)27-18-7-3-2-4-8-18/h5-6,9-12,14-15,18H,2-4,7-8,13H2,1H3,(H,27,28)
InChIKeyZQCYGVDBKDNCGW-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.55
Rot. Bonds5

About 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide

4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide (PubChem CID 88874061) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide
PubChem CID88874061
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)NC2CCCCC2)cc(Cc2ccc(Cl)nc2)c2ccccc12
InChIInChI=1S/C24H25ClN2O2/c1-29-23-20-10-6-5-9-19(20)17(13-16-11-12-22(25)26-15-16)14-21(23)24(28)27-18-7-3-2-4-8-18/h5-6,9-12,14-15,18H,2-4,7-8,13H2,1H3,(H,27,28)
InChIKeyZQCYGVDBKDNCGW-UHFFFAOYSA-N
XLogP5.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138
methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
CID 86677537
4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-(oxan-3-yl)naphthalene-2-carboxamide
CID 123348184
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2R)-2-hydroxycyclohexyl]quinoline-2-carboxamide
CID 53307897
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 122668773
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-(methylamino)cyclohexyl]benzo[h]quinazolin-4-one
CID 46208973
N-(1-benzylpiperidin-4-yl)-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 10789834
4-amino-7-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzimidazole-5-carboxamide
CID 130407532
4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide
CID 144891463
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]benzo[h]quinazolin-4-one
CID 46208126

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide (CID 88874061) is 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide is COc1c(C(=O)NC2CCCCC2)cc(Cc2ccc(Cl)nc2)c2ccccc12.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide?
The InChIKey is ZQCYGVDBKDNCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-29-23-20-10-6-5-9-19(20)17(13-16-11-12-22(25)26-15-16)14-21(23)24(28)27-18-7-3-2-4-8-18/h5-6,9-12,14-15,18H,2-4,7-8,13H2,1H3,(H,27,28).
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide?
4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 88874061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).