2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile

C20H15ClN4O — CID 170347248

IUPAC2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
SMILESCc1nc(C23CC(C2)C3)c(Cl)cc1-c1cc(=O)c2c(C#N)nccc2[nH]1
InChIInChI=1S/C20H15ClN4O/c1-10-12(4-13(21)19(24-10)20-6-11(7-20)8-20)15-5-17(26)18-14(25-15)2-3-23-16(18)9-22/h2-5,11H,6-8H2,1H3,(H,25,26)
InChIKeyLXJJHNJOIUOYOL-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.87
Rot. Bonds2

About 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile

2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile (PubChem CID 170347248) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile.

Molecular Properties

Compound Name2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
PubChem CID170347248
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
SMILESCc1nc(C23CC(C2)C3)c(Cl)cc1-c1cc(=O)c2c(C#N)nccc2[nH]1
InChIInChI=1S/C20H15ClN4O/c1-10-12(4-13(21)19(24-10)20-6-11(7-20)8-20)15-5-17(26)18-14(25-15)2-3-23-16(18)9-22/h2-5,11H,6-8H2,1H3,(H,25,26)
InChIKeyLXJJHNJOIUOYOL-UHFFFAOYSA-N
XLogP3.87
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169257011
2-(6-but-1-en-2-yl-5-chloro-2-methyl-3-pyridinyl)-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
CID 169256494
2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256506
2-[5-chloro-4-(3,3-difluorocyclopentyl)-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;ethane
CID 169256508
2-[5-chloro-3-deuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256205
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-[(2S)-2,3-dihydroxypropoxy]-1H-1,6-naphthyridin-4-one
CID 177312061
5-methyl-2-(2-methylphenyl)-1H-1,8-naphthyridin-4-one
CID 70230377
4-chloro-3-(5,6,7-trifluoro-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916772
2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256277
4-(7-chloro-5-fluoro-4-oxo-1H-quinolin-2-yl)-5-methylpyridine-2-carbonitrile
CID 177106956
5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile
CID 167456031

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The IUPAC name of 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile (CID 170347248) is 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile.
What is the SMILES notation for 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The canonical SMILES for 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile is Cc1nc(C23CC(C2)C3)c(Cl)cc1-c1cc(=O)c2c(C#N)nccc2[nH]1.
What is the InChIKey of 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
The InChIKey is LXJJHNJOIUOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-10-12(4-13(21)19(24-10)20-6-11(7-20)8-20)15-5-17(26)18-14(25-15)2-3-23-16(18)9-22/h2-5,11H,6-8H2,1H3,(H,25,26).
What are the key properties of 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile?
2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile has a molecular weight of 362.82 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile is sourced from PubChem (CID 170347248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).