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

C16H24N4O — CID 81199317

IUPAC4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
SMILESCN1CCCC2CN(c3cc(C(N)=O)ccc3N)CCC21
InChIInChI=1S/C16H24N4O/c1-19-7-2-3-12-10-20(8-6-14(12)19)15-9-11(16(18)21)4-5-13(15)17/h4-5,9,12,14H,2-3,6-8,10,17H2,1H3,(H2,18,21)
InChIKeyNLDWSUAVLLHDED-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.29
Rot. Bonds2

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

4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide (PubChem CID 81199317) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
PubChem CID81199317
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
SMILESCN1CCCC2CN(c3cc(C(N)=O)ccc3N)CCC21
InChIInChI=1S/C16H24N4O/c1-19-7-2-3-12-10-20(8-6-14(12)19)15-9-11(16(18)21)4-5-13(15)17/h4-5,9,12,14H,2-3,6-8,10,17H2,1H3,(H2,18,21)
InChIKeyNLDWSUAVLLHDED-UHFFFAOYSA-N
XLogP1.29
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The IUPAC name of 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide (CID 81199317) is 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide.
What is the SMILES notation for 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The canonical SMILES for 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide is CN1CCCC2CN(c3cc(C(N)=O)ccc3N)CCC21.
What is the InChIKey of 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
The InChIKey is NLDWSUAVLLHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19-7-2-3-12-10-20(8-6-14(12)19)15-9-11(16(18)21)4-5-13(15)17/h4-5,9,12,14H,2-3,6-8,10,17H2,1H3,(H2,18,21).
What are the key properties of 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide?
4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide is sourced from PubChem (CID 81199317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).