N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide

C22H14ClN2O2- — CID 25253728

IUPACN-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide
SMILESO=C(c1ccc(-c2cccc3ccccc23)nc1)N([O-])c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClN2O2/c23-17-9-11-18(12-10-17)25(27)22(26)16-8-13-21(24-14-16)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H/q-1
InChIKeyWWVIOXQLBMMNEF-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.70
Rot. Bonds3

About N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide

N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide (PubChem CID 25253728) has the molecular formula C22H14ClN2O2- and a molecular weight of 373.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide
PubChem CID25253728
Molecular FormulaC22H14ClN2O2-
Molecular Weight373.82 g/mol
Exact Mass373.07
IUPAC NameN-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide
SMILESO=C(c1ccc(-c2cccc3ccccc23)nc1)N([O-])c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClN2O2/c23-17-9-11-18(12-10-17)25(27)22(26)16-8-13-21(24-14-16)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H/q-1
InChIKeyWWVIOXQLBMMNEF-UHFFFAOYSA-N
XLogP5.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-naphthalen-1-yl-3-pyridinyl)-phenylmethanone
CID 148605660
6-naphthalen-1-ylpyridine-3-carbaldehyde
CID 86720518
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 138744139
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 155598933
6-isoquinolin-5-yl-N-methylpyridine-3-carboxamide
CID 59268970
N-[(4-chlorophenyl)methyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091788
2-[(4-chlorophenyl)methyl]-6-naphthalen-1-ylpyridazin-3-one
CID 16831265
6-chloro-N-(4-chlorophenyl)-N-methylpyridine-3-carboxamide
CID 18419490
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-6-naphthalen-1-yl-4-phenylpyridine-3-carbonitrile
CID 3292425
5-(6-naphthalen-1-ylpyridine-3-carbonyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylic acid
CID 139999012
2-methyl-5-naphthalen-1-ylpyrazine
CID 118148882

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide (CID 25253728) is N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide is O=C(c1ccc(-c2cccc3ccccc23)nc1)N([O-])c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide?
The InChIKey is WWVIOXQLBMMNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN2O2/c23-17-9-11-18(12-10-17)25(27)22(26)16-8-13-21(24-14-16)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H/q-1.
What are the key properties of N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide?
N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-naphthalen-1-yl-N-oxidopyridine-3-carboxamide is sourced from PubChem (CID 25253728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).