N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine

C17H21N3O2 — CID 162376872

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
SMILESCOc1ccc(CNc2nccc3c2CCNC3)c(OC)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-4-3-13(16(9-14)22-2)11-20-17-15-6-7-18-10-12(15)5-8-19-17/h3-5,8-9,18H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyJQNIWBRHRZJTIU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.36
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine (PubChem CID 162376872) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
PubChem CID162376872
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
SMILESCOc1ccc(CNc2nccc3c2CCNC3)c(OC)c1
InChIInChI=1S/C17H21N3O2/c1-21-14-4-3-13(16(9-14)22-2)11-20-17-15-6-7-18-10-12(15)5-8-19-17/h3-5,8-9,18H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyJQNIWBRHRZJTIU-UHFFFAOYSA-N
XLogP2.36
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
N-[2-(2,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56754446
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
CID 174573113
N-[(2,4-dimethoxyphenyl)methyl]-3-iodo-2H-pyrazolo[4,3-c]pyridin-4-amine;molecular hydrogen
CID 160683192
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
3-cyclooctyl-N-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168934278
N-[(2,4-dimethoxyphenyl)methyl]-1-ethylimidazol-2-amine
CID 63362794
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine (CID 162376872) is N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine is COc1ccc(CNc2nccc3c2CCNC3)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine?
The InChIKey is JQNIWBRHRZJTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-14-4-3-13(16(9-14)22-2)11-20-17-15-6-7-18-10-12(15)5-8-19-17/h3-5,8-9,18H,6-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine has a molecular weight of 299.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine is sourced from PubChem (CID 162376872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).