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

C21H22N4O3 — CID 86990003

IUPAC6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1
InChIInChI=1S/C21H22N4O3/c1-3-22-19(26)15-6-4-13(5-7-15)11-23-20(27)16-10-17(14-8-9-14)24-21-18(16)12(2)25-28-21/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCWTSCPFJSBGYKQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.09
Rot. Bonds6

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

6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86990003) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86990003
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1
InChIInChI=1S/C21H22N4O3/c1-3-22-19(26)15-6-4-13(5-7-15)11-23-20(27)16-10-17(14-8-9-14)24-21-18(16)12(2)25-28-21/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyCWTSCPFJSBGYKQ-UHFFFAOYSA-N
XLogP3.09
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4-cyanophenyl)methyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46587247
5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245680
6-cyclopropyl-N-(furan-2-ylmethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17393292
6-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120652981
N-[2-(cyclopropanecarbonylamino)ethyl]-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51322772
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
7-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]heptanoic acid
CID 119227173
6-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 95158907
6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
3-[4-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 119252104
[1-(benzylamino)-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680864

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 86990003) is 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCNC(=O)c1ccc(CNC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1.
What is the InChIKey of 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CWTSCPFJSBGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-22-19(26)15-6-4-13(5-7-15)11-23-20(27)16-10-17(14-8-9-14)24-21-18(16)12(2)25-28-21/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86990003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).