N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide

C22H17N3O2 — CID 121167837

IUPACN-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C22H17N3O2/c26-22(25-19-12-6-10-17-9-4-5-11-18(17)19)20-13-21(24-15-23-20)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,26)
InChIKeyDWXMYZHTOTWRPQ-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.46
Rot. Bonds5

About N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide

N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167837) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167837
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C22H17N3O2/c26-22(25-19-12-6-10-17-9-4-5-11-18(17)19)20-13-21(24-15-23-20)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,26)
InChIKeyDWXMYZHTOTWRPQ-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-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

ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167812
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
N-(4-chloro-3-nitrophenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167939
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167837) is N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide is O=C(Nc1cccc2ccccc12)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is DWXMYZHTOTWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(25-19-12-6-10-17-9-4-5-11-18(17)19)20-13-21(24-15-23-20)27-14-16-7-2-1-3-8-16/h1-13,15H,14H2,(H,25,26).
What are the key properties of N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide?
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).