6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H23N3O2 — CID 32895796

IUPAC6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-12-5-6-16(13(2)9-12)11-24(4)21(25)17-10-18(15-7-8-15)22-20-19(17)14(3)23-26-20/h5-6,9-10,15H,7-8,11H2,1-4H3
InChIKeyGNSYWHOWLSTKNW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.30
Rot. Bonds4

About 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32895796) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32895796
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-12-5-6-16(13(2)9-12)11-24(4)21(25)17-10-18(15-7-8-15)22-20-19(17)14(3)23-26-20/h5-6,9-10,15H,7-8,11H2,1-4H3
InChIKeyGNSYWHOWLSTKNW-UHFFFAOYSA-N
XLogP4.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119227789
N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
6-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212940
6-cyclopropyl-N,3-dimethyl-N-(4-methylcyclohexyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32918771
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
6-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110887145
6-cyclopropyl-N-ethyl-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821919
N,6-dicyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 47018188
6-cyclopropyl-N-ethyl-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94822825
6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130319
2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119954747
N,3-dimethyl-N-[(4-methylquinazolin-2-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51133374

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 32895796) is 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)c(C)c1.
What is the InChIKey of 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GNSYWHOWLSTKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-12-5-6-16(13(2)9-12)11-24(4)21(25)17-10-18(15-7-8-15)22-20-19(17)14(3)23-26-20/h5-6,9-10,15H,7-8,11H2,1-4H3.
What are the key properties of 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32895796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).