1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C15H20N4O2 — CID 112530798

IUPAC1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)N2CCC(N)C2)C1
InChIInChI=1S/C15H20N4O2/c1-10(20)18-5-3-13-11(8-18)6-17-7-14(13)15(21)19-4-2-12(16)9-19/h6-7,12H,2-5,8-9,16H2,1H3
InChIKeyNIFRMLFIFYQSMU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.16
Rot. Bonds1

About 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 112530798) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID112530798
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)N2CCC(N)C2)C1
InChIInChI=1S/C15H20N4O2/c1-10(20)18-5-3-13-11(8-18)6-17-7-14(13)15(21)19-4-2-12(16)9-19/h6-7,12H,2-5,8-9,16H2,1H3
InChIKeyNIFRMLFIFYQSMU-UHFFFAOYSA-N
XLogP0.16
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone with MolForge

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Related Compounds

1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112531749
7-acetyl-N-(3,5-dichlorophenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112525367
1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112526485
1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 112526635
methyl 5-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530449
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
7-acetyl-N-(4-methylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112521061
1-[5-(cyclopropylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
CID 155878126
[4-(hydroxymethyl)piperidin-1-yl]-(7-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methanone
CID 112531750
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 112530798) is 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2c(cncc2C(=O)N2CCC(N)C2)C1.
What is the InChIKey of 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is NIFRMLFIFYQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(20)18-5-3-13-11(8-18)6-17-7-14(13)15(21)19-4-2-12(16)9-19/h6-7,12H,2-5,8-9,16H2,1H3.
What are the key properties of 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 112530798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).