N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide

C15H15N3O2 — CID 166284093

IUPACN-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide
SMILESC=C1CC(N(C)C(=O)c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C15H15N3O2/c1-9-6-10(7-9)18(2)15(20)12-8-13(19)17-14-11(12)4-3-5-16-14/h3-5,8,10H,1,6-7H2,2H3,(H,16,17,19)
InChIKeyCQGRMVWUQNEHGZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.71
Rot. Bonds2

About N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide

N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide (PubChem CID 166284093) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide
PubChem CID166284093
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide
SMILESC=C1CC(N(C)C(=O)c2cc(=O)[nH]c3ncccc23)C1
InChIInChI=1S/C15H15N3O2/c1-9-6-10(7-9)18(2)15(20)12-8-13(19)17-14-11(12)4-3-5-16-14/h3-5,8,10H,1,6-7H2,2H3,(H,16,17,19)
InChIKeyCQGRMVWUQNEHGZ-UHFFFAOYSA-N
XLogP1.71
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475007
8-bromo-N-methyl-2-oxo-N-piperidin-4-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119444645
4-piperazin-1-yl-1H-1,8-naphthyridin-2-one
CID 69174819
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 120519111
2-fluoro-N-methyl-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 107362833
N-(2,3-dihydro-1H-inden-2-yl)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 86768792
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126923041
4-(pentylamino)-1H-1,8-naphthyridin-2-one
CID 70533631

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide (CID 166284093) is N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide is C=C1CC(N(C)C(=O)c2cc(=O)[nH]c3ncccc23)C1.
What is the InChIKey of N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide?
The InChIKey is CQGRMVWUQNEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-10(7-9)18(2)15(20)12-8-13(19)17-14-11(12)4-3-5-16-14/h3-5,8,10H,1,6-7H2,2H3,(H,16,17,19).
What are the key properties of N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide?
N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylidenecyclobutyl)-2-oxo-1H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 166284093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).