5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile

C18H13N5O2 — CID 169413116

IUPAC5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCc3oc(-c4cccnc4)nc3C2)cn1
InChIInChI=1S/C18H13N5O2/c19-8-14-4-3-13(10-21-14)18(24)23-7-5-16-15(11-23)22-17(25-16)12-2-1-6-20-9-12/h1-4,6,9-10H,5,7,11H2
InChIKeyMMYPDHZVXYGFEA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.20
Rot. Bonds2

About 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile

5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile (PubChem CID 169413116) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
PubChem CID169413116
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCc3oc(-c4cccnc4)nc3C2)cn1
InChIInChI=1S/C18H13N5O2/c19-8-14-4-3-13(10-21-14)18(24)23-7-5-16-15(11-23)22-17(25-16)12-2-1-6-20-9-12/h1-4,6,9-10H,5,7,11H2
InChIKeyMMYPDHZVXYGFEA-UHFFFAOYSA-N
XLogP2.20
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile with MolForge

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Related Compounds

(1-methylpyrrolidin-3-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512029
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170512265
(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(1,3-thiazol-5-yl)methanone
CID 169417462
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169420006
[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methylpyrimidin-5-yl)methanone
CID 170511487
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169419453
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
2-ethoxy-1-[4-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]ethanone
CID 170509764
[2-(2-pyridin-3-ylethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 169420646
(5-fluoro-2-pyridinyl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502779

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile (CID 169413116) is 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile is N#Cc1ccc(C(=O)N2CCc3oc(-c4cccnc4)nc3C2)cn1.
What is the InChIKey of 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile?
The InChIKey is MMYPDHZVXYGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-8-14-4-3-13(10-21-14)18(24)23-7-5-16-15(11-23)22-17(25-16)12-2-1-6-20-9-12/h1-4,6,9-10H,5,7,11H2.
What are the key properties of 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile?
5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile has a molecular weight of 331.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 169413116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).