2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide

C12H13ClN4O2 — CID 78918282

IUPAC2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H13ClN4O2/c1-6-9(7(2)19-17-6)5-15-12(18)8-3-10(13)16-11(14)4-8/h3-4H,5H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRVHLUJYMYGSFEW-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 78918282) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID78918282
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C12H13ClN4O2/c1-6-9(7(2)19-17-6)5-15-12(18)8-3-10(13)16-11(14)4-8/h3-4H,5H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRVHLUJYMYGSFEW-UHFFFAOYSA-N
XLogP1.85
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
CID 47861587
6-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035994
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 78918299
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide (CID 78918282) is 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide is Cc1noc(C)c1CNC(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RVHLUJYMYGSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-6-9(7(2)19-17-6)5-15-12(18)8-3-10(13)16-11(14)4-8/h3-4H,5H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 78918282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).