6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one

C17H12N4O2 — CID 170266343

IUPAC6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cncc(Nc4ccccn4)c3)cc2o1
InChIInChI=1S/C17H12N4O2/c22-17-21-14-5-4-11(8-15(14)23-17)12-7-13(10-18-9-12)20-16-3-1-2-6-19-16/h1-10H,(H,19,20)(H,21,22)
InChIKeyBPANYWRVLPZYAD-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.32
Rot. Bonds3

About 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one

6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one (PubChem CID 170266343) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
PubChem CID170266343
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cncc(Nc4ccccn4)c3)cc2o1
InChIInChI=1S/C17H12N4O2/c22-17-21-14-5-4-11(8-15(14)23-17)12-7-13(10-18-9-12)20-16-3-1-2-6-19-16/h1-10H,(H,19,20)(H,21,22)
InChIKeyBPANYWRVLPZYAD-UHFFFAOYSA-N
XLogP3.32
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
6-(5-phenoxy-3-pyridinyl)-3H-1,3-benzoxazol-2-one
CID 170266350
2-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122316108
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
4-(2-oxo-3H-1,3-benzoxazol-6-yl)benzoic acid
CID 22730479
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
5-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 44545185
5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 152798051
5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylthiourea
CID 34883375
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476

Frequently Asked Questions

What is the IUPAC name of 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one (CID 170266343) is 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3cncc(Nc4ccccn4)c3)cc2o1.
What is the InChIKey of 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is BPANYWRVLPZYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17-21-14-5-4-11(8-15(14)23-17)12-7-13(10-18-9-12)20-16-3-1-2-6-19-16/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one?
6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 304.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(pyridin-2-ylamino)-3-pyridinyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 170266343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).