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

C21H22N4O3 — CID 56797790

IUPACN-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1c(C)ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C
InChIInChI=1S/C21H22N4O3/c1-10-5-8-16(11(2)19(10)22-13(4)26)23-20(27)15-9-17(14-6-7-14)24-21-18(15)12(3)25-28-21/h5,8-9,14H,6-7H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyMQZHFMMUVDRHHR-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.24
Rot. Bonds4

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

N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56797790) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56797790
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)Nc1c(C)ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C
InChIInChI=1S/C21H22N4O3/c1-10-5-8-16(11(2)19(10)22-13(4)26)23-20(27)15-9-17(14-6-7-14)24-21-18(15)12(3)25-28-21/h5,8-9,14H,6-7H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyMQZHFMMUVDRHHR-UHFFFAOYSA-N
XLogP4.24
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 56797790) is N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CC(=O)Nc1c(C)ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1C.
What is the InChIKey of N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MQZHFMMUVDRHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-10-5-8-16(11(2)19(10)22-13(4)26)23-20(27)15-9-17(14-6-7-14)24-21-18(15)12(3)25-28-21/h5,8-9,14H,6-7H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56797790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).