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

C24H18ClN3O2 — CID 137438371

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C(=O)C2CC2)cc(Cl)n1
InChIInChI=1S/C24H18ClN3O2/c1-13-11-16(12-18(25)27-13)19-21(23(30)15-7-8-15)20-17(29)9-10-26-24(20)28-22(19)14-5-3-2-4-6-14/h2-6,9-12,15H,7-8H2,1H3,(H,26,28,29)
InChIKeyYTCNEAXJKHDNOG-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.21
Rot. Bonds4

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

6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137438371) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137438371
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C(=O)C2CC2)cc(Cl)n1
InChIInChI=1S/C24H18ClN3O2/c1-13-11-16(12-18(25)27-13)19-21(23(30)15-7-8-15)20-17(29)9-10-26-24(20)28-22(19)14-5-3-2-4-6-14/h2-6,9-12,15H,7-8H2,1H3,(H,26,28,29)
InChIKeyYTCNEAXJKHDNOG-UHFFFAOYSA-N
XLogP5.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.21
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137438371) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2C(=O)C2CC2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is YTCNEAXJKHDNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-13-11-16(12-18(25)27-13)19-21(23(30)15-7-8-15)20-17(29)9-10-26-24(20)28-22(19)14-5-3-2-4-6-14/h2-6,9-12,15H,7-8H2,1H3,(H,26,28,29).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 415.88 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 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-(cyclopropanecarbonyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).