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

C24H20ClN3O — CID 137437766

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2CC2CC2)cc(Cl)n1
InChIInChI=1S/C24H20ClN3O/c1-14-11-17(13-20(25)27-14)21-18(12-15-7-8-15)22-19(29)9-10-26-24(22)28-23(21)16-5-3-2-4-6-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,26,28,29)
InChIKeyLPJMYPMRKXAANK-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.57
Rot. Bonds4

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

6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137437766) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137437766
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2CC2CC2)cc(Cl)n1
InChIInChI=1S/C24H20ClN3O/c1-14-11-17(13-20(25)27-14)21-18(12-15-7-8-15)22-19(29)9-10-26-24(22)28-23(21)16-5-3-2-4-6-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,26,28,29)
InChIKeyLPJMYPMRKXAANK-UHFFFAOYSA-N
XLogP5.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137437766) is 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2c(-c3ccccc3)nc3[nH]ccc(=O)c3c2CC2CC2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is LPJMYPMRKXAANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-14-11-17(13-20(25)27-14)21-18(12-15-7-8-15)22-19(29)9-10-26-24(22)28-23(21)16-5-3-2-4-6-16/h2-6,9-11,13,15H,7-8,12H2,1H3,(H,26,28,29).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 401.90 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-5-(cyclopropylmethyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137437766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).