5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide

C17H22N6O3 — CID 90098267

IUPAC5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide
SMILESCC(C)[C@@H](Nc1cnc(C(N)=O)c(Nc2cc(C3CC3)no2)c1)C(N)=O
InChIInChI=1S/C17H22N6O3/c1-8(2)14(16(18)24)21-10-5-12(15(17(19)25)20-7-10)22-13-6-11(23-26-13)9-3-4-9/h5-9,14,21-22H,3-4H2,1-2H3,(H2,18,24)(H2,19,25)/t14-/m1/s1
InChIKeyQXNHXZHZVBVJSL-CQSZACIVSA-N
MW358.40 g/mol
LogP1.71
Rot. Bonds8

About 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide

5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide (PubChem CID 90098267) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide
PubChem CID90098267
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide
SMILESCC(C)[C@@H](Nc1cnc(C(N)=O)c(Nc2cc(C3CC3)no2)c1)C(N)=O
InChIInChI=1S/C17H22N6O3/c1-8(2)14(16(18)24)21-10-5-12(15(17(19)25)20-7-10)22-13-6-11(23-26-13)9-3-4-9/h5-9,14,21-22H,3-4H2,1-2H3,(H2,18,24)(H2,19,25)/t14-/m1/s1
InChIKeyQXNHXZHZVBVJSL-CQSZACIVSA-N
XLogP1.71
TPSA149.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-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

5-[(1-amino-1-oxopropan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547914
2-[(5-methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 106345974
methyl 2-[3-[4-(2-chloropyrimidin-5-yl)cyclohexyl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 163374176
5-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 78107274
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
2-[(2-hydrazinyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106347658
3-[(4,6-dimethyl-2-pyridinyl)amino]-5-(piperidin-4-ylamino)pyridine-2-carboxamide
CID 90354419
5-(2-aminopropylamino)-3-[(4,6-dimethyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547341
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-(3-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 67477032
[(1R,2S)-2-[[6-carbamoyl-5-[[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,2-oxazol-5-yl]amino]-3-pyridinyl]amino]cyclohexyl]azanium
CID 159940763

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide (CID 90098267) is 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide is CC(C)[C@@H](Nc1cnc(C(N)=O)c(Nc2cc(C3CC3)no2)c1)C(N)=O.
What is the InChIKey of 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide?
The InChIKey is QXNHXZHZVBVJSL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-8(2)14(16(18)24)21-10-5-12(15(17(19)25)20-7-10)22-13-6-11(23-26-13)9-3-4-9/h5-9,14,21-22H,3-4H2,1-2H3,(H2,18,24)(H2,19,25)/t14-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide?
5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[(3-cyclopropyl-1,2-oxazol-5-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90098267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).