5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide

C13H10N4O2S — CID 61357833

IUPAC5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Sc1nc2ccccc2o1
InChIInChI=1S/C13H10N4O2S/c14-7-5-8(11(15)18)12(16-6-7)20-13-17-9-3-1-2-4-10(9)19-13/h1-6H,14H2,(H2,15,18)
InChIKeyPSMDMGXYAVALGU-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.06
Rot. Bonds3

About 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide

5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide (PubChem CID 61357833) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide
PubChem CID61357833
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Sc1nc2ccccc2o1
InChIInChI=1S/C13H10N4O2S/c14-7-5-8(11(15)18)12(16-6-7)20-13-17-9-3-1-2-4-10(9)19-13/h1-6H,14H2,(H2,15,18)
InChIKeyPSMDMGXYAVALGU-UHFFFAOYSA-N
XLogP2.06
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 22272776
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]butanamide
CID 655274
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)propanamide
CID 774918
N-[[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71536111
2-(1,3-benzoxazol-2-yl)ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 127028138
N-[(E)-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
CID 145982492
2-Pyridin-3-yl-benzooxazol-5-ylamine
CID 736008
N-pyridin-3-yl-1,3-benzoxazole-5-carboxamide
CID 76317928
N-pyridin-3-yl-1,3-benzoxazole-6-carboxamide
CID 76328803
2-[(1-Pyridin-3-yltriazol-4-yl)methylsulfanyl]-1,3-benzoxazole
CID 90643685

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide (CID 61357833) is 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Sc1nc2ccccc2o1.
What is the InChIKey of 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide?
The InChIKey is PSMDMGXYAVALGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c14-7-5-8(11(15)18)12(16-6-7)20-13-17-9-3-1-2-4-10(9)19-13/h1-6H,14H2,(H2,15,18).
What are the key properties of 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide?
5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide has a molecular weight of 286.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-benzoxazol-2-ylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 61357833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).