3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile

C21H15N5O — CID 154605030

IUPAC3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESCNc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H15N5O/c1-23-18-11-14(7-8-24-18)17-10-16-5-6-19(27)25-21(16)26-20(17)15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26,27)
InChIKeyMJVZBRJHIVLROT-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.57
Rot. Bonds3

About 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile

3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile (PubChem CID 154605030) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
PubChem CID154605030
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESCNc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H15N5O/c1-23-18-11-14(7-8-24-18)17-10-16-5-6-19(27)25-21(16)26-20(17)15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26,27)
InChIKeyMJVZBRJHIVLROT-UHFFFAOYSA-N
XLogP3.57
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,3-benzothiazol-6-yl)-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154604929
N-[4-(3-cyanophenyl)-2-pyridinyl]formamide
CID 134418130
3-methyl-4-[2-[(6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-3-yl)methylamino]-4-pyridinyl]benzonitrile
CID 136625785
2-[3-(2-chloro-6-methyl-4-pyridinyl)-7-oxo-8H-1,8-naphthyridin-2-yl]-1-benzothiophene-5-carbonitrile
CID 154657742
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
3-(4-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)benzonitrile
CID 138570011
6-bromo-7-phenyl-1H-1,8-naphthyridin-2-one;7-phenyl-6-pyridin-4-yl-1H-1,8-naphthyridin-2-one;pyridin-4-ylboronic acid
CID 161470946
3-quinolin-8-ylbenzonitrile
CID 4189045
3-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72706341
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The IUPAC name of 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile (CID 154605030) is 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The canonical SMILES for 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile is CNc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2cccc(C#N)c2)ccn1.
What is the InChIKey of 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The InChIKey is MJVZBRJHIVLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c1-23-18-11-14(7-8-24-18)17-10-16-5-6-19(27)25-21(16)26-20(17)15-4-2-3-13(9-15)12-22/h2-11H,1H3,(H,23,24)(H,25,26,27).
What are the key properties of 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile has a molecular weight of 353.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(methylamino)-4-pyridinyl]-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile is sourced from PubChem (CID 154605030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).