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

C12H14N4O2 — CID 114180640

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nc(CNc2ncccc2C(N)=O)oc1C
InChIInChI=1S/C12H14N4O2/c1-7-8(2)18-10(16-7)6-15-12-9(11(13)17)4-3-5-14-12/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyUFBFCGTWQWLIKI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.40
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 114180640) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID114180640
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nc(CNc2ncccc2C(N)=O)oc1C
InChIInChI=1S/C12H14N4O2/c1-7-8(2)18-10(16-7)6-15-12-9(11(13)17)4-3-5-14-12/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyUFBFCGTWQWLIKI-UHFFFAOYSA-N
XLogP1.40
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carbothioamide
CID 106372601
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 106374178
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 113229810
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-(butylamino)pyridine-3-carboxamide
CID 29031037
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylpyridine-3-carboxylic acid
CID 114180485
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-4-nitrobenzamide
CID 106374095

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide (CID 114180640) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide is Cc1nc(CNc2ncccc2C(N)=O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is UFBFCGTWQWLIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-8(2)18-10(16-7)6-15-12-9(11(13)17)4-3-5-14-12/h3-5H,6H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 114180640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).