3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine

C21H25ClN4O3 — CID 139395997

IUPAC3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCCOC)n1
InChIInChI=1S/C21H25ClN4O3/c1-5-13-16(28-3)10-17(29-4)20(22)19(13)15-8-12-11-25-18(23)9-14(12)21(26-15)24-6-7-27-2/h8-11H,5-7H2,1-4H3,(H2,23,25)(H,24,26)
InChIKeyKFBKMFSJBDCSBV-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.17
Rot. Bonds8

About 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine

3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine (PubChem CID 139395997) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine
PubChem CID139395997
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCCOC)n1
InChIInChI=1S/C21H25ClN4O3/c1-5-13-16(28-3)10-17(29-4)20(22)19(13)15-8-12-11-25-18(23)9-14(12)21(26-15)24-6-7-27-2/h8-11H,5-7H2,1-4H3,(H2,23,25)(H,24,26)
InChIKeyKFBKMFSJBDCSBV-UHFFFAOYSA-N
XLogP4.17
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-2,6-naphthyridin-1-amine
CID 139385604
1-N-(cyclopentylmethyl)-3-(2-ethyl-3,5-dimethoxy-6-methylphenyl)-2,6-naphthyridine-1,7-diamine
CID 139395861
5-[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(2-methoxyethylamino)-2,6-naphthyridin-3-yl]pent-1-en-3-one
CID 158274351
2-[[7-amino-3-(2-fluoro-3-methoxyphenyl)-2,6-naphthyridin-1-yl]amino]ethanol
CID 135179999
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
CID 142381446
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-N-ethylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180014
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-N-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 139395868
N-(cyclopropylmethyl)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 142381492
7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(cyclopropylmethoxy)-2,6-naphthyridin-3-amine
CID 135181145
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-N,8-N-dimethylpyrido[3,4-d]pyrimidine-2,8-diamine;propane
CID 142380947
6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
CID 142295606

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine (CID 139395997) is 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine is CCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCCOC)n1.
What is the InChIKey of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine?
The InChIKey is KFBKMFSJBDCSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-5-13-16(28-3)10-17(29-4)20(22)19(13)15-8-12-11-25-18(23)9-14(12)21(26-15)24-6-7-27-2/h8-11H,5-7H2,1-4H3,(H2,23,25)(H,24,26).
What are the key properties of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine?
3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine has a molecular weight of 416.91 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(2-methoxyethyl)-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 139395997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).