N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide

C12H14N4O2 — CID 81245976

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1onc(C)c1C
InChIInChI=1S/C12H14N4O2/c1-7-8(2)16-18-12(7)15-11(17)9-6-14-5-4-10(9)13-3/h4-6H,1-3H3,(H,13,14)(H,15,17)
InChIKeyKJCVQFZWOHAPQO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.98
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245976) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245976
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1onc(C)c1C
InChIInChI=1S/C12H14N4O2/c1-7-8(2)16-18-12(7)15-11(17)9-6-14-5-4-10(9)13-3/h4-6H,1-3H3,(H,13,14)(H,15,17)
InChIKeyKJCVQFZWOHAPQO-UHFFFAOYSA-N
XLogP1.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-4-(methylamino)benzamide
CID 65480384
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(3-chloro-2-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234663
N-(2,5-dichloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 104728161
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65481371
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
[3-(methylcarbamoyl)-4-pyridinyl]carbamic acid
CID 151478044
4-(methylamino)-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 81242635
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488541
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245310

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide (CID 81245976) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1onc(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is KJCVQFZWOHAPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-8(2)16-18-12(7)15-11(17)9-6-14-5-4-10(9)13-3/h4-6H,1-3H3,(H,13,14)(H,15,17).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).