5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide

C20H21N3O2 — CID 6181377

IUPAC5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NC(C)CCc3ccccc3)cc12
InChIInChI=1S/C20H21N3O2/c1-13(8-9-15-6-4-3-5-7-15)22-19(24)17-12-16-14(2)21-11-10-18(16)23-20(17)25/h3-7,10-13H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKPAGRTXOCOBBBO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.98
Rot. Bonds5

About 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide

5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide (PubChem CID 6181377) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide
PubChem CID6181377
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide
SMILESCc1nccc2[nH]c(=O)c(C(=O)NC(C)CCc3ccccc3)cc12
InChIInChI=1S/C20H21N3O2/c1-13(8-9-15-6-4-3-5-7-15)22-19(24)17-12-16-14(2)21-11-10-18(16)23-20(17)25/h3-7,10-13H,8-9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyKPAGRTXOCOBBBO-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide (CID 6181377) is 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide is Cc1nccc2[nH]c(=O)c(C(=O)NC(C)CCc3ccccc3)cc12.
What is the InChIKey of 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide?
The InChIKey is KPAGRTXOCOBBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(8-9-15-6-4-3-5-7-15)22-19(24)17-12-16-14(2)21-11-10-18(16)23-20(17)25/h3-7,10-13H,8-9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide?
5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 6181377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).