(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone

C15H21ClN4O — CID 81200537

IUPAC(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
SMILESCN1CCCC2CN(C(=O)c3cc(N)nc(Cl)c3)CCC21
InChIInChI=1S/C15H21ClN4O/c1-19-5-2-3-10-9-20(6-4-12(10)19)15(21)11-7-13(16)18-14(17)8-11/h7-8,10,12H,2-6,9H2,1H3,(H2,17,18)
InChIKeyHGZJGPLREKJHSR-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.87
Rot. Bonds1

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

(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone (PubChem CID 81200537) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
PubChem CID81200537
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
SMILESCN1CCCC2CN(C(=O)c3cc(N)nc(Cl)c3)CCC21
InChIInChI=1S/C15H21ClN4O/c1-19-5-2-3-10-9-20(6-4-12(10)19)15(21)11-7-13(16)18-14(17)8-11/h7-8,10,12H,2-6,9H2,1H3,(H2,17,18)
InChIKeyHGZJGPLREKJHSR-UHFFFAOYSA-N
XLogP1.87
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

(3-amino-4-fluorophenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199116
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
(4-bromo-3-methylphenyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 115771050
(2-amino-6-chloro-4-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538513
(2-amino-6-chloro-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154515
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[6-(methylamino)-2-pyridinyl]methanone
CID 81199724
(6-hydrazinylpyridazin-3-yl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199262
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
furan-2-yl-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81206244

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone (CID 81200537) is (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone is CN1CCCC2CN(C(=O)c3cc(N)nc(Cl)c3)CCC21.
What is the InChIKey of (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
The InChIKey is HGZJGPLREKJHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-19-5-2-3-10-9-20(6-4-12(10)19)15(21)11-7-13(16)18-14(17)8-11/h7-8,10,12H,2-6,9H2,1H3,(H2,17,18).
What are the key properties of (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone?
(2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone has a molecular weight of 308.81 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-4-pyridinyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 81200537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).