(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone

C16H24N4O — CID 81199724

IUPAC(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C16H24N4O/c1-17-15-7-3-6-13(18-15)16(21)20-10-8-14-12(11-20)5-4-9-19(14)2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,17,18)
InChIKeyFXVKXDJWFJMQGW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.68
Rot. Bonds2

About (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone

(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 81199724) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID81199724
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCC3C(CCCN3C)C2)n1
InChIInChI=1S/C16H24N4O/c1-17-15-7-3-6-13(18-15)16(21)20-10-8-14-12(11-20)5-4-9-19(14)2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,17,18)
InChIKeyFXVKXDJWFJMQGW-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199262
(3-ethoxypiperidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 62233605
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244
(3,4-dimethylpyrrolidin-1-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 79181819
(2-bromo-6-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115722507
phenyl (4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
CID 101244890
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103386618
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone (CID 81199724) is (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2CCC3C(CCCN3C)C2)n1.
What is the InChIKey of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is FXVKXDJWFJMQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-17-15-7-3-6-13(18-15)16(21)20-10-8-14-12(11-20)5-4-9-19(14)2/h3,6-7,12,14H,4-5,8-11H2,1-2H3,(H,17,18).
What are the key properties of (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone?
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 81199724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).