N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide

C21H14ClN3O2 — CID 24824044

IUPACN-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccncn3)ccc12
InChIInChI=1S/C21H14ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)19-3-1-2-14-12-17(8-9-18(14)19)27-20-10-11-23-13-24-20/h1-13H,(H,25,26)
InChIKeyRZVJCQVUPKZPSU-UHFFFAOYSA-N
MW375.82 g/mol
LogP5.33
Rot. Bonds4

About N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide (PubChem CID 24824044) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
PubChem CID24824044
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC NameN-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccncn3)ccc12
InChIInChI=1S/C21H14ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)19-3-1-2-14-12-17(8-9-18(14)19)27-20-10-11-23-13-24-20/h1-13H,(H,25,26)
InChIKeyRZVJCQVUPKZPSU-UHFFFAOYSA-N
XLogP5.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.82
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813234
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
4-[5-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl]oxy-7-methoxyquinoline-6-carboxamide
CID 24822268
N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 91298326
N-(3-methoxyphenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 59813351
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 67406449
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
6-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]oxy-N-phenylnaphthalene-1-carboxamide
CID 122377977
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide
CID 59813514

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide (CID 24824044) is N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cccc2cc(Oc3ccncn3)ccc12.
What is the InChIKey of N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide?
The InChIKey is RZVJCQVUPKZPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-15-4-6-16(7-5-15)25-21(26)19-3-1-2-14-12-17(8-9-18(14)19)27-20-10-11-23-13-24-20/h1-13H,(H,25,26).
What are the key properties of N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide is sourced from PubChem (CID 24824044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).