N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one

C40H33N5O4 — CID 160958150

About N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one

N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one (PubChem CID 160958150) has the molecular formula C40H33N5O4 and a molecular weight of 647.74 g/mol. Its IUPAC name is N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one.

Molecular Properties

• Compound Name: N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
• PubChem CID: 160958150
• Molecular Formula: C40H33N5O4
• Molecular Weight: 647.74 g/mol
• Exact Mass: 647.25
• IUPAC Name: N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
• SMILES: Cc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12.Cc1ccc(C(=O)Nc2cccnc2C(=O)NC2CCC2)c2ccccc12
• InChI: InChI=1S/C22H21N3O2.C18H12N2O2/c1-14-11-12-18(17-9-3-2-8-16(14)17)21(26)25-19-10-5-13-23-20(19)22(27)24-15-6-4-7-15;1-11-8-9-14(13-6-3-2-5-12(11)13)17-20-15-7-4-10-19-16(15)18(21)22-17/h2-3,5,8-13,15H,4,6-7H2,1H3,(H,24,27)(H,25,26);2-10H,1H3
• InChIKey: SWQYJFXMWIGVHL-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.74
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?

The IUPAC name of N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one (CID 160958150) is N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one.

What is the SMILES notation for N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?

The canonical SMILES for N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one is Cc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12.Cc1ccc(C(=O)Nc2cccnc2C(=O)NC2CCC2)c2ccccc12.

What is the InChIKey of N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?

The InChIKey is SWQYJFXMWIGVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C18H12N2O2/c1-14-11-12-18(17-9-3-2-8-16(14)17)21(26)25-19-10-5-13-23-20(19)22(27)24-15-6-4-7-15;1-11-8-9-14(13-6-3-2-5-12(11)13)17-20-15-7-4-10-19-16(15)18(21)22-17/h2-3,5,8-13,15H,4,6-7H2,1H3,(H,24,27)(H,25,26);2-10H,1H3.

What are the key properties of N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?

N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one has a molecular weight of 647.74 g/mol, XLogP of 7.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide;2-(4-methylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 160958150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).