7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile

C16H11ClN4 — CID 100988453

IUPAC7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile
SMILESCc1cc(-c2ccccc2)nc2c(C#N)c(N)nc(Cl)c12
InChIInChI=1S/C16H11ClN4/c1-9-7-12(10-5-3-2-4-6-10)20-14-11(8-18)16(19)21-15(17)13(9)14/h2-7H,1H3,(H2,19,21)
InChIKeyZPMOEWAFKSPFPW-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.71
Rot. Bonds1

About 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile

7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile (PubChem CID 100988453) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile
PubChem CID100988453
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile
SMILESCc1cc(-c2ccccc2)nc2c(C#N)c(N)nc(Cl)c12
InChIInChI=1S/C16H11ClN4/c1-9-7-12(10-5-3-2-4-6-10)20-14-11(8-18)16(19)21-15(17)13(9)14/h2-7H,1H3,(H2,19,21)
InChIKeyZPMOEWAFKSPFPW-UHFFFAOYSA-N
XLogP3.71
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
copper;2,4-dimethyl-6-phenylpyridine-3-carbonitrile;dibromide
CID 68902117
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-4-(2,4-dichlorophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659437
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-amino-4-[4-(diethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
CID 3360463
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile (CID 100988453) is 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile is Cc1cc(-c2ccccc2)nc2c(C#N)c(N)nc(Cl)c12.
What is the InChIKey of 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile?
The InChIKey is ZPMOEWAFKSPFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c1-9-7-12(10-5-3-2-4-6-10)20-14-11(8-18)16(19)21-15(17)13(9)14/h2-7H,1H3,(H2,19,21).
What are the key properties of 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile?
7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile has a molecular weight of 294.75 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-chloro-4-methyl-2-phenyl-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 100988453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).