3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine

C23H26ClN3O3 — CID 135180642

IUPAC3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCOCC3)n2)c1C
InChIInChI=1S/C23H26ClN3O3/c1-13-9-17-15(12-25-13)10-18(27-23(17)26-16-5-7-30-8-6-16)21-14(2)19(28-3)11-20(29-4)22(21)24/h9-12,16H,5-8H2,1-4H3,(H,26,27)
InChIKeyDISPPMVGOODUDU-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.18
Rot. Bonds5

About 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine (PubChem CID 135180642) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
PubChem CID135180642
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCOCC3)n2)c1C
InChIInChI=1S/C23H26ClN3O3/c1-13-9-17-15(12-25-13)10-18(27-23(17)26-16-5-7-30-8-6-16)21-14(2)19(28-3)11-20(29-4)22(21)24/h9-12,16H,5-8H2,1-4H3,(H,26,27)
InChIKeyDISPPMVGOODUDU-UHFFFAOYSA-N
XLogP5.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
CID 135181139
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
CID 142381022
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-(oxan-3-yl)-1-N-(oxetan-3-yl)-2,6-naphthyridine-1,7-diamine
CID 139395977
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(oxan-4-yl)-6,7-dihydro-2,6-naphthyridin-1-amine
CID 167095560
N-[4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163908344
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-methyl-2-N-(oxolan-3-yl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180770
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
1-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(oxolan-3-ylamino)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]but-3-en-2-one
CID 157315513
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
CID 135181145

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine?
The IUPAC name of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine (CID 135180642) is 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCOCC3)n2)c1C.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine?
The InChIKey is DISPPMVGOODUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-13-9-17-15(12-25-13)10-18(27-23(17)26-16-5-7-30-8-6-16)21-14(2)19(28-3)11-20(29-4)22(21)24/h9-12,16H,5-8H2,1-4H3,(H,26,27).
What are the key properties of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine?
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine has a molecular weight of 427.93 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 135180642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).