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

C21H13ClN4 — CID 15209204

IUPAC5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile
SMILESN#Cc1c(Cl)nc(N)c2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H13ClN4/c22-20-16(12-23)19-18(21(24)26-20)15(13-7-3-1-4-8-13)11-17(25-19)14-9-5-2-6-10-14/h1-11H,(H2,24,26)
InChIKeyGZSLSTPIAZMVRY-UHFFFAOYSA-N
MW356.82 g/mol
LogP5.07
Rot. Bonds2

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

5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile (PubChem CID 15209204) has the molecular formula C21H13ClN4 and a molecular weight of 356.82 g/mol. Its IUPAC name is 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile
PubChem CID15209204
Molecular FormulaC21H13ClN4
Molecular Weight356.82 g/mol
Exact Mass356.08
IUPAC Name5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile
SMILESN#Cc1c(Cl)nc(N)c2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C21H13ClN4/c22-20-16(12-23)19-18(21(24)26-20)15(13-7-3-1-4-8-13)11-17(25-19)14-9-5-2-6-10-14/h1-11H,(H2,24,26)
InChIKeyGZSLSTPIAZMVRY-UHFFFAOYSA-N
XLogP5.07
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.82
LogP ≤ 55.07
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

3-(2,6-Dichlorophenyl)-1,6-naphthyridine-2,7-diamine
CID 5328993
2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
5-Amino-7-benzyl-2-chloro-6,7,8,9-tetrahydropyrido[2,3-B][1,6]naphthyridine-3-carbonitrile
CID 53322745
2-Amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile
CID 916396
2-Amino-6-(2-chlorophenyl)-4-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3751417
6-[2-(4-Chlorophenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 137645367
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 44574665
5-Amino-2-chloro-6,7,8,9-tetrahydrobenzo[B][1,8]naphthyridine-3-carbonitrile
CID 53318653
6-(3-Chlorophenyl)quinolin-2-amine
CID 53465789
2-Amino-6-chloro-4-phenylquinoline-3-carbonitrile
CID 268604
2-Methylbenzo[h][1,6]naphthyridin-5-amine
CID 90682326
3-(2-chlorophenyl)-7-N,7-N-dimethylquinoline-2,7-diamine
CID 122688168

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile (CID 15209204) is 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile is N#Cc1c(Cl)nc(N)c2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile?
The InChIKey is GZSLSTPIAZMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4/c22-20-16(12-23)19-18(21(24)26-20)15(13-7-3-1-4-8-13)11-17(25-19)14-9-5-2-6-10-14/h1-11H,(H2,24,26).
What are the key properties of 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile?
5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile has a molecular weight of 356.82 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-2,4-diphenyl-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 15209204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).