4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C16H16N6O — CID 166865994

IUPAC4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(N3C=CNC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C16H16N6O/c17-8-12-15(14-13(20-16(12)23)2-1-4-19-14)21-6-3-11(9-21)22-7-5-18-10-22/h1-2,4-5,7,11,18H,3,6,9-10H2,(H,20,23)
InChIKeyNVVRHNCXTPQCGQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.71
Rot. Bonds2

About 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 166865994) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID166865994
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(N3C=CNC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C16H16N6O/c17-8-12-15(14-13(20-16(12)23)2-1-4-19-14)21-6-3-11(9-21)22-7-5-18-10-22/h1-2,4-5,7,11,18H,3,6,9-10H2,(H,20,23)
InChIKeyNVVRHNCXTPQCGQ-UHFFFAOYSA-N
XLogP0.71
TPSA88.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019364
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166865983
4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019351
6-ethyl-2-oxo-4-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]-1H-quinoline-3-carbonitrile
CID 166985665
6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile
CID 175193221
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019535
4-(4,4-dimethylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126507552
4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166866105
2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 10334971
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708397

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 166865994) is 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC(N3C=CNC3)C2)c2ncccc2[nH]c1=O.
What is the InChIKey of 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is NVVRHNCXTPQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-8-12-15(14-13(20-16(12)23)2-1-4-19-14)21-6-3-11(9-21)22-7-5-18-10-22/h1-2,4-5,7,11,18H,3,6,9-10H2,(H,20,23).
What are the key properties of 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2-dihydroimidazol-3-yl)pyrrolidin-1-yl]-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 166865994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).