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

C13H15ClN4O2 — CID 106376888

IUPAC3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nc(NC)ccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2/c1-3-8-6-16-11(20-8)7-17-13(19)12-9(14)4-5-10(15-2)18-12/h4-6H,3,7H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyCKMJTACUPNQOHT-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.26
Rot. Bonds5

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

3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide (PubChem CID 106376888) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
PubChem CID106376888
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2nc(NC)ccc2Cl)o1
InChIInChI=1S/C13H15ClN4O2/c1-3-8-6-16-11(20-8)7-17-13(19)12-9(14)4-5-10(15-2)18-12/h4-6H,3,7H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyCKMJTACUPNQOHT-UHFFFAOYSA-N
XLogP2.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933
5-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydroxybenzamide
CID 104890839
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 55206512
5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104890841
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide (CID 106376888) is 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide is CCc1cnc(CNC(=O)c2nc(NC)ccc2Cl)o1.
What is the InChIKey of 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is CKMJTACUPNQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-8-6-16-11(20-8)7-17-13(19)12-9(14)4-5-10(15-2)18-12/h4-6H,3,7H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).