N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

C21H22N4O2 — CID 25303205

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)c1ncoc1C1CC1
InChIInChI=1S/C21H22N4O2/c1-25(13-15-6-3-2-4-7-15)20-17(8-5-11-22-20)12-23-21(26)18-19(16-9-10-16)27-14-24-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,23,26)
InChIKeyZATYBYUZDKPVIW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.51
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (PubChem CID 25303205) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
PubChem CID25303205
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)c1ncoc1C1CC1
InChIInChI=1S/C21H22N4O2/c1-25(13-15-6-3-2-4-7-15)20-17(8-5-11-22-20)12-23-21(26)18-19(16-9-10-16)27-14-24-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,23,26)
InChIKeyZATYBYUZDKPVIW-UHFFFAOYSA-N
XLogP3.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-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

N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 42147194
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 42594163
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 42189481
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 155904475
5-cyclopropyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 128515772

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide (CID 25303205) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is CN(Cc1ccccc1)c1ncccc1CNC(=O)c1ncoc1C1CC1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZATYBYUZDKPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(13-15-6-3-2-4-7-15)20-17(8-5-11-22-20)12-23-21(26)18-19(16-9-10-16)27-14-24-18/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,23,26).
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 25303205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).