6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one

C20H15ClN4O — CID 137438877

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCC1=CC#CC(c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)N1
InChIInChI=1S/C20H15ClN4O/c1-11-4-3-5-16(23-11)19-14(13-8-12(2)24-18(21)9-13)10-15-17(26)6-7-22-20(15)25-19/h4,6-10,16,23H,1-2H3,(H,22,25,26)
InChIKeyZTEJGTVCJZDECG-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.50
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one

6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 137438877) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID137438877
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCC1=CC#CC(c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)N1
InChIInChI=1S/C20H15ClN4O/c1-11-4-3-5-16(23-11)19-14(13-8-12(2)24-18(21)9-13)10-15-17(26)6-7-22-20(15)25-19/h4,6-10,16,23H,1-2H3,(H,22,25,26)
InChIKeyZTEJGTVCJZDECG-UHFFFAOYSA-N
XLogP3.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one (CID 137438877) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one is CC1=CC#CC(c2nc3[nH]ccc(=O)c3cc2-c2cc(C)nc(Cl)c2)N1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is ZTEJGTVCJZDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-11-4-3-5-16(23-11)19-14(13-8-12(2)24-18(21)9-13)10-15-17(26)6-7-22-20(15)25-19/h4,6-10,16,23H,1-2H3,(H,22,25,26).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 362.82 g/mol, XLogP of 3.50, 2 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)-7-(6-methyl-3,4-didehydro-1,2-dihydropyridin-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).