5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide

C14H11ClN4O3 — CID 133294479

IUPAC5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
SMILESCn1c(=O)oc2cc(Nc3ncc(C(N)=O)cc3Cl)ccc21
InChIInChI=1S/C14H11ClN4O3/c1-19-10-3-2-8(5-11(10)22-14(19)21)18-13-9(15)4-7(6-17-13)12(16)20/h2-6H,1H3,(H2,16,20)(H,17,18)
InChIKeyCPEDSMSQEIFZND-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.02
Rot. Bonds3

About 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide

5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide (PubChem CID 133294479) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
PubChem CID133294479
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC Name5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
SMILESCn1c(=O)oc2cc(Nc3ncc(C(N)=O)cc3Cl)ccc21
InChIInChI=1S/C14H11ClN4O3/c1-19-10-3-2-8(5-11(10)22-14(19)21)18-13-9(15)4-7(6-17-13)12(16)20/h2-6H,1H3,(H2,16,20)(H,17,18)
InChIKeyCPEDSMSQEIFZND-UHFFFAOYSA-N
XLogP2.02
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[4-(2-methylsulfanylethyl)anilino]pyridine-3-carboxamide
CID 133294380
N-[3-[[5-methyl-4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 66659717
5-chloro-6-[3-(2,2-difluoroethoxy)-4-methylanilino]pyridine-3-carboxamide
CID 133294137
3-methyl-6-[[5-methyl-2-(3-methylsulfonylanilino)pyrimidin-4-yl]amino]-1,3-benzoxazol-2-one
CID 66659327
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
6-chloro-3-methyl-1,3-benzoxazol-2-one
CID 843790
5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxamide
CID 133353158
3-methyl-6-(4-nitroanilino)-1,3-benzoxazol-2-one
CID 133453796
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide (CID 133294479) is 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide is Cn1c(=O)oc2cc(Nc3ncc(C(N)=O)cc3Cl)ccc21.
What is the InChIKey of 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is CPEDSMSQEIFZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c1-19-10-3-2-8(5-11(10)22-14(19)21)18-13-9(15)4-7(6-17-13)12(16)20/h2-6H,1H3,(H2,16,20)(H,17,18).
What are the key properties of 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 318.72 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133294479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).