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

C22H25ClN4O2 — CID 139395509

IUPAC3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCC2CC2)n1
InChIInChI=1S/C22H25ClN4O2/c1-4-14-17(28-2)9-18(29-3)21(23)20(14)16-7-13-11-25-19(24)8-15(13)22(27-16)26-10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3,(H2,24,25)(H,26,27)
InChIKeyHBLFAZIMADBZDY-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.93
Rot. Bonds7

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

3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine (PubChem CID 139395509) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine.

Molecular Properties

Compound Name3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
PubChem CID139395509
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine
SMILESCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCC2CC2)n1
InChIInChI=1S/C22H25ClN4O2/c1-4-14-17(28-2)9-18(29-3)21(23)20(14)16-7-13-11-25-19(24)8-15(13)22(27-16)26-10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3,(H2,24,25)(H,26,27)
InChIKeyHBLFAZIMADBZDY-UHFFFAOYSA-N
XLogP4.93
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine?
The IUPAC name of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine (CID 139395509) is 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine.
What is the SMILES notation for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine?
The canonical SMILES for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine is CCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(N)cc2c(NCC2CC2)n1.
What is the InChIKey of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine?
The InChIKey is HBLFAZIMADBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-4-14-17(28-2)9-18(29-3)21(23)20(14)16-7-13-11-25-19(24)8-15(13)22(27-16)26-10-12-5-6-12/h7-9,11-12H,4-6,10H2,1-3H3,(H2,24,25)(H,26,27).
What are the key properties of 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine?
3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine has a molecular weight of 412.92 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-1-N-(cyclopropylmethyl)-2,6-naphthyridine-1,7-diamine is sourced from PubChem (CID 139395509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).