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

C12H13ClN4O2 — CID 62181201

IUPAC3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2cc(C)on2)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-5-8(17-19-7)6-15-12(18)11-9(13)3-4-10(14-2)16-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyFZVWGVCJXPLQGT-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.00
Rot. Bonds4

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

3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 62181201) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID62181201
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2cc(C)on2)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-5-8(17-19-7)6-15-12(18)11-9(13)3-4-10(14-2)16-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyFZVWGVCJXPLQGT-UHFFFAOYSA-N
XLogP2.00
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 55052384
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
3-chloro-6-(methylamino)-N-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107586618
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide (CID 62181201) is 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCc2cc(C)on2)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FZVWGVCJXPLQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-5-8(17-19-7)6-15-12(18)11-9(13)3-4-10(14-2)16-11/h3-5H,6H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62181201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).