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

C23H27ClN4O2 — CID 135181139

IUPAC3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCN(C)C3)n2)c1C
InChIInChI=1S/C23H27ClN4O2/c1-13-8-17-15(11-25-13)9-18(27-23(17)26-16-6-7-28(3)12-16)21-14(2)19(29-4)10-20(30-5)22(21)24/h8-11,16H,6-7,12H2,1-5H3,(H,26,27)
InChIKeyRBCBNPBJKGQUMR-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.70
Rot. Bonds5

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

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine (PubChem CID 135181139) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
PubChem CID135181139
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCN(C)C3)n2)c1C
InChIInChI=1S/C23H27ClN4O2/c1-13-8-17-15(11-25-13)9-18(27-23(17)26-16-6-7-28(3)12-16)21-14(2)19(29-4)10-20(30-5)22(21)24/h8-11,16H,6-7,12H2,1-5H3,(H,26,27)
InChIKeyRBCBNPBJKGQUMR-UHFFFAOYSA-N
XLogP4.70
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.70
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-(oxan-4-yl)-2,6-naphthyridin-1-amine
CID 135180642
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
N-cyclopropyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135180923
3-[3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-2,6-naphthyridin-1-yl]-1,3-oxazinane
CID 135180259
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[[[(3S)-1-methylpyrrolidin-3-yl]amino]methyl]-N-(oxolan-2-ylmethyl)-2,6-naphthyridin-1-amine
CID 139395946
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
CID 135181145
6-(3,5-dimethoxy-2,6-dimethylphenyl)-N-(1-methylazetidin-3-yl)-2-methylsulfanylpyrido[3,4-d]pyrimidin-8-amine
CID 142381470
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-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
1-(3-azabicyclo[3.1.0]hexan-3-yl)-7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine
CID 139395439
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 139395841

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine?
The IUPAC name of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine (CID 135181139) is 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NC3CCN(C)C3)n2)c1C.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine?
The InChIKey is RBCBNPBJKGQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-13-8-17-15(11-25-13)9-18(27-23(17)26-16-6-7-28(3)12-16)21-14(2)19(29-4)10-20(30-5)22(21)24/h8-11,16H,6-7,12H2,1-5H3,(H,26,27).
What are the key properties of 3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine?
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine has a molecular weight of 426.95 g/mol, XLogP of 4.70, 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-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 135181139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).