N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide

C27H25N3O3 — CID 505115

IUPACN-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide
SMILESCC(C)Oc1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1
InChIInChI=1S/C27H25N3O3/c1-19(2)33-24-10-5-9-23(16-24)30(26(32)17-25(31)27-28-13-6-14-29-27)18-20-11-12-21-7-3-4-8-22(21)15-20/h3-16,19H,17-18H2,1-2H3
InChIKeyNDHVWKJJWIEVRD-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.22
Rot. Bonds8

About N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide

N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide (PubChem CID 505115) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide
PubChem CID505115
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide
SMILESCC(C)Oc1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1
InChIInChI=1S/C27H25N3O3/c1-19(2)33-24-10-5-9-23(16-24)30(26(32)17-25(31)27-28-13-6-14-29-27)18-20-11-12-21-7-3-4-8-22(21)15-20/h3-16,19H,17-18H2,1-2H3
InChIKeyNDHVWKJJWIEVRD-UHFFFAOYSA-N
XLogP5.22
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide 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

(1-(3-isopropoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785430
(1-(3-ethoxyphenyl)-2-(4-ethylphenyl)-1H-imidazol-4-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
CID 24785432
N-(4-methoxyphenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505008
N-[3-(1,1-dimethoxyethyl)phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505039
2-methoxy-N,N-dimethyl-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 505073
2-Methoxy-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid
CID 505098
3-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505119
4-[[3-(4-Methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid
CID 505121
(3S)-1-[2-(3-ethoxyanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 68212168
[(3,5-Dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]-[2-[3-(3-piperidin-1-ylpropoxy)anilino]pyrimidin-4-yl]carbamic acid
CID 69204176
[1-(3-Ethoxyphenyl)-2-(4-methylphenyl)imidazol-4-yl]-[4-(4-methylnaphthalen-2-yl)piperazin-1-yl]methanone
CID 70852431
1-[2-(3-ethoxyanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 77426526

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide (CID 505115) is N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide is CC(C)Oc1cccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide?
The InChIKey is NDHVWKJJWIEVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-19(2)33-24-10-5-9-23(16-24)30(26(32)17-25(31)27-28-13-6-14-29-27)18-20-11-12-21-7-3-4-8-22(21)15-20/h3-16,19H,17-18H2,1-2H3.
What are the key properties of N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide?
N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide has a molecular weight of 439.52 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-3-oxo-N-(3-propan-2-yloxyphenyl)-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 505115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).