7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone

C13H17N3O — CID 60862419

IUPAC7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C13H17N3O/c17-13(12-4-2-7-15-12)16-8-5-11-10(9-16)3-1-6-14-11/h1,3,6,12,15H,2,4-5,7-9H2
InChIKeyPNTKIFXGWYORQG-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.72
Rot. Bonds1

About 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone

7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone (PubChem CID 60862419) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
PubChem CID60862419
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1)N1CCc2ncccc2C1
InChIInChI=1S/C13H17N3O/c17-13(12-4-2-7-15-12)16-8-5-11-10(9-16)3-1-6-14-11/h1,3,6,12,15H,2,4-5,7-9H2
InChIKeyPNTKIFXGWYORQG-UHFFFAOYSA-N
XLogP0.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dihydro-5H-1,6-naphthyridin-6-yl(1,3-thiazolidin-4-yl)methanone
CID 60862417
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 126827187
2-[(2R)-pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104901455
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-ylethanone
CID 54910538
(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 119327935
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
2-(piperidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559033
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-2-ylmethanone
CID 119312734
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone (CID 60862419) is 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone is O=C(C1CCCN1)N1CCc2ncccc2C1.
What is the InChIKey of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone?
The InChIKey is PNTKIFXGWYORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(12-4-2-7-15-12)16-8-5-11-10(9-16)3-1-6-14-11/h1,3,6,12,15H,2,4-5,7-9H2.
What are the key properties of 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone?
7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-1,6-naphthyridin-6-yl(pyrrolidin-2-yl)methanone is sourced from PubChem (CID 60862419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).