6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one

C23H19ClN4O — CID 137438369

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2NC2CC2)cc(Cl)n1
InChIInChI=1S/C23H19ClN4O/c1-13-11-15(12-18(24)26-13)19-21(14-5-3-2-4-6-14)28-23-20(17(29)9-10-25-23)22(19)27-16-7-8-16/h2-6,9-12,16H,7-8H2,1H3,(H2,25,27,28,29)
InChIKeyGYPCODAABVIKAB-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.19
Rot. Bonds4

About 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438369) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438369
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2NC2CC2)cc(Cl)n1
InChIInChI=1S/C23H19ClN4O/c1-13-11-15(12-18(24)26-13)19-21(14-5-3-2-4-6-14)28-23-20(17(29)9-10-25-23)22(19)27-16-7-8-16/h2-6,9-12,16H,7-8H2,1H3,(H2,25,27,28,29)
InChIKeyGYPCODAABVIKAB-UHFFFAOYSA-N
XLogP5.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438369) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2NC2CC2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is GYPCODAABVIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-13-11-15(12-18(24)26-13)19-21(14-5-3-2-4-6-14)28-23-20(17(29)9-10-25-23)22(19)27-16-7-8-16/h2-6,9-12,16H,7-8H2,1H3,(H2,25,27,28,29).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 402.89 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylamino)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).