2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide

C23H17ClN2O2 — CID 134025883

IUPAC2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccnc(Cl)c1
InChIInChI=1S/C23H17ClN2O2/c24-20-14-17(12-13-25-20)23(28)26-22(16-7-2-1-3-8-16)21-18-9-5-4-6-15(18)10-11-19(21)27/h1-14,22,27H,(H,26,28)
InChIKeyFEGPYGPZJGPHKA-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.11
Rot. Bonds4

About 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide

2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide (PubChem CID 134025883) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
PubChem CID134025883
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccnc(Cl)c1
InChIInChI=1S/C23H17ClN2O2/c24-20-14-17(12-13-25-20)23(28)26-22(16-7-2-1-3-8-16)21-18-9-5-4-6-15(18)10-11-19(21)27/h1-14,22,27H,(H,26,28)
InChIKeyFEGPYGPZJGPHKA-UHFFFAOYSA-N
XLogP5.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide (CID 134025883) is 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide is O=C(NC(c1ccccc1)c1c(O)ccc2ccccc12)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide?
The InChIKey is FEGPYGPZJGPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c24-20-14-17(12-13-25-20)23(28)26-22(16-7-2-1-3-8-16)21-18-9-5-4-6-15(18)10-11-19(21)27/h1-14,22,27H,(H,26,28).
What are the key properties of 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide?
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 134025883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).