3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one

C22H17ClN2O2 — CID 176729700

IUPAC3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-16-8-5-15(6-9-16)22(25-18-13-24-12-11-19(18)26)21-17-4-2-1-3-14(17)7-10-20(21)27/h1-13,22,25,27H,(H,24,26)
InChIKeyLGNYFIPCLPXWMR-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.09
Rot. Bonds4

About 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one

3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one (PubChem CID 176729700) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
PubChem CID176729700
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C22H17ClN2O2/c23-16-8-5-15(6-9-16)22(25-18-13-24-12-11-19(18)26)21-17-4-2-1-3-14(17)7-10-20(21)27/h1-13,22,25,27H,(H,24,26)
InChIKeyLGNYFIPCLPXWMR-UHFFFAOYSA-N
XLogP5.09
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-fluorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729772
3-[[(4-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729804
3-[[[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729799
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-(4-methoxyphenyl)methyl]naphthalen-2-ol
CID 71741177
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 42927482
5-[(R)-(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-6-ol
CID 40714258

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The IUPAC name of 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one (CID 176729700) is 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one.
What is the SMILES notation for 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The canonical SMILES for 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one is O=c1cc[nH]cc1NC(c1ccc(Cl)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
The InChIKey is LGNYFIPCLPXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-16-8-5-15(6-9-16)22(25-18-13-24-12-11-19(18)26)21-17-4-2-1-3-14(17)7-10-20(21)27/h1-13,22,25,27H,(H,24,26).
What are the key properties of 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one?
3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one has a molecular weight of 376.84 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one is sourced from PubChem (CID 176729700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).