3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one

C44H41N5O5 — CID 157118280

IUPAC3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
SMILESCCc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12.CCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C25H27N3O3.C19H14N2O2/c1-2-18-9-10-21(20-7-4-3-6-19(18)20)24(29)28-22-8-5-13-26-23(22)25(30)27-16-17-11-14-31-15-12-17;1-2-12-9-10-15(14-7-4-3-6-13(12)14)18-21-16-8-5-11-20-17(16)19(22)23-18/h3-10,13,17H,2,11-12,14-16H2,1H3,(H,27,30)(H,28,29);3-11H,2H2,1H3
InChIKeyAHQTVAXDRXLIRO-UHFFFAOYSA-N
MW719.84 g/mol
LogP8.17
Rot. Bonds8

About 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one

3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one (PubChem CID 157118280) has the molecular formula C44H41N5O5 and a molecular weight of 719.84 g/mol. Its IUPAC name is 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
PubChem CID157118280
Molecular FormulaC44H41N5O5
Molecular Weight719.84 g/mol
Exact Mass719.31
IUPAC Name3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one
SMILESCCc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12.CCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C25H27N3O3.C19H14N2O2/c1-2-18-9-10-21(20-7-4-3-6-19(18)20)24(29)28-22-8-5-13-26-23(22)25(30)27-16-17-11-14-31-15-12-17;1-2-12-9-10-15(14-7-4-3-6-13(12)14)18-21-16-8-5-11-20-17(16)19(22)23-18/h3-10,13,17H,2,11-12,14-16H2,1H3,(H,27,30)(H,28,29);3-11H,2H2,1H3
InChIKeyAHQTVAXDRXLIRO-UHFFFAOYSA-N
XLogP8.17
TPSA136.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 44344882
{2-[(1S,3S,4S)-1-Benzyl-4-((R)-2-ethoxycarbonylamino-3-methyl-butyrylamino)-3-hydroxy-5-phenyl-pentylcarbamoyl]-phenyl}-carbamic acid pyridin-2-ylmethyl ester
CID 44344883
N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973398
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benzyl (2S)-4-amino-2-(isoquinoline-3-carbonylamino)-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one (CID 157118280) is 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one is CCc1ccc(-c2nc3cccnc3c(=O)o2)c2ccccc12.CCc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12.
What is the InChIKey of 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?
The InChIKey is AHQTVAXDRXLIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3.C19H14N2O2/c1-2-18-9-10-21(20-7-4-3-6-19(18)20)24(29)28-22-8-5-13-26-23(22)25(30)27-16-17-11-14-31-15-12-17;1-2-12-9-10-15(14-7-4-3-6-13(12)14)18-21-16-8-5-11-20-17(16)19(22)23-18/h3-10,13,17H,2,11-12,14-16H2,1H3,(H,27,30)(H,28,29);3-11H,2H2,1H3.
What are the key properties of 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one?
3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one has a molecular weight of 719.84 g/mol, XLogP of 8.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;2-(4-ethylnaphthalen-1-yl)pyrido[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 157118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).