1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine

C25H32N4O2 — CID 139395861

IUPAC1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(C)c1-c1cc2cnc(N)cc2c(NCC2CCCC2)n1
InChIInChI=1S/C25H32N4O2/c1-5-18-22(31-4)12-21(30-3)15(2)24(18)20-10-17-14-27-23(26)11-19(17)25(29-20)28-13-16-8-6-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H2,26,27)(H,28,29)
InChIKeyQEDIYHGLHQETNA-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.37
Rot. Bonds7

About 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine

1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine (PubChem CID 139395861) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine
PubChem CID139395861
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(C)c1-c1cc2cnc(N)cc2c(NCC2CCCC2)n1
InChIInChI=1S/C25H32N4O2/c1-5-18-22(31-4)12-21(30-3)15(2)24(18)20-10-17-14-27-23(26)11-19(17)25(29-20)28-13-16-8-6-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H2,26,27)(H,28,29)
InChIKeyQEDIYHGLHQETNA-UHFFFAOYSA-N
XLogP5.37
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine with MolForge

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Related Compounds

3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395509
3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine
CID 139395997
3-[7-amino-1-(cyclopropylmethylamino)-2,6-naphthyridin-3-yl]-4-fluoro-5-methoxy-2-phosphanylphenol
CID 139396017
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
4-N-(cyclopropylmethyl)-2-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine;propane
CID 142380894
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
CID 135181145
1-N-(cyclopentylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-(ethenylamino)-6-methylphenyl]-2,6-naphthyridine-1,7-diamine
CID 167095624
1-N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-methyl-6-(methylamino)phenyl]-2,6-naphthyridine-1,7-diamine
CID 142380892
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395611
2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
CID 135179999
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine (CID 139395861) is 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine is CCc1c(OC)cc(OC)c(C)c1-c1cc2cnc(N)cc2c(NCC2CCCC2)n1.
What is the InChIKey of 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine?
The InChIKey is QEDIYHGLHQETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-18-22(31-4)12-21(30-3)15(2)24(18)20-10-17-14-27-23(26)11-19(17)25(29-20)28-13-16-8-6-7-9-16/h10-12,14,16H,5-9,13H2,1-4H3,(H2,26,27)(H,28,29).
What are the key properties of 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine?
1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine has a molecular weight of 420.56 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 139395861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).