1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide

C17H20N4O3 — CID 42650197

IUPAC1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCn1cc(C(=O)N2CCCC2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H20N4O3/c1-3-20-9-12(14(22)11-7-6-10(2)19-16(11)20)17(24)21-8-4-5-13(21)15(18)23/h6-7,9,13H,3-5,8H2,1-2H3,(H2,18,23)
InChIKeyWFNNLLTVRNAMNM-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.81
Rot. Bonds3

About 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide

1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42650197) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42650197
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCCn1cc(C(=O)N2CCCC2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C17H20N4O3/c1-3-20-9-12(14(22)11-7-6-10(2)19-16(11)20)17(24)21-8-4-5-13(21)15(18)23/h6-7,9,13H,3-5,8H2,1-2H3,(H2,18,23)
InChIKeyWFNNLLTVRNAMNM-UHFFFAOYSA-N
XLogP0.81
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-7-methyl-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 91771144
3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90566827
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 131927818
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 7246320
1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 121069458
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645686
1-ethyl-7-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)-1,8-naphthyridin-4-one
CID 90566061
1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 90493323
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
3-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90537434

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 42650197) is 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide is CCn1cc(C(=O)N2CCCC2C(N)=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is WFNNLLTVRNAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-20-9-12(14(22)11-7-6-10(2)19-16(11)20)17(24)21-8-4-5-13(21)15(18)23/h6-7,9,13H,3-5,8H2,1-2H3,(H2,18,23).
What are the key properties of 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide?
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42650197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).