N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine

C21H21Cl2N3O2 — CID 142381492

IUPACN-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NCC3CC3)n2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-11-6-14-13(10-24-11)7-15(26-21(14)25-9-12-4-5-12)18-19(22)16(27-2)8-17(28-3)20(18)23/h6-8,10,12H,4-5,9H2,1-3H3,(H,25,26)
InChIKeyHOGCPZTYYLWUMY-UHFFFAOYSA-N
MW418.32 g/mol
LogP5.75
Rot. Bonds6

About N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine

N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine (PubChem CID 142381492) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
PubChem CID142381492
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC NameN-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NCC3CC3)n2)c1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-11-6-14-13(10-24-11)7-15(26-21(14)25-9-12-4-5-12)18-19(22)16(27-2)8-17(28-3)20(18)23/h6-8,10,12H,4-5,9H2,1-3H3,(H,25,26)
InChIKeyHOGCPZTYYLWUMY-UHFFFAOYSA-N
XLogP5.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(oxan-4-yl)-2,6-naphthyridin-1-amine
CID 135180642
3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-7-methyl-N-(1-methylpyrrolidin-3-yl)-2,6-naphthyridin-1-amine
CID 135181139
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-methyl-1-N-(oxolan-2-ylmethyl)-2,6-naphthyridine-1,7-diamine
CID 139395611
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;2-methylbut-2-ene;oxolane
CID 142381022
1-N-(cyclopentylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-N-[2-(ethenylamino)-6-methylphenyl]-2,6-naphthyridine-1,7-diamine
CID 167095624
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxan-4-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179912
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
CID 139385604
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-(oxetan-3-ylmethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135179900
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine (CID 142381492) is N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine is COc1cc(OC)c(Cl)c(-c2cc3cnc(C)cc3c(NCC3CC3)n2)c1Cl.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
The InChIKey is HOGCPZTYYLWUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-11-6-14-13(10-24-11)7-15(26-21(14)25-9-12-4-5-12)18-19(22)16(27-2)8-17(28-3)20(18)23/h6-8,10,12H,4-5,9H2,1-3H3,(H,25,26).
What are the key properties of N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine?
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine has a molecular weight of 418.32 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 142381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).