7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine

C20H18ClF2N3O2 — CID 139385182

IUPAC7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C20H18ClF2N3O2/c1-27-14-7-15(28-2)19(23)17(18(14)22)13-5-11-9-24-16(21)6-12(11)20(26-13)25-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,25,26)
InChIKeyDUKHOTPCGVDBQH-UHFFFAOYSA-N
MW405.83 g/mol
LogP5.07
Rot. Bonds6

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

7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine (PubChem CID 139385182) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine
PubChem CID139385182
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine
SMILESCOc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3c(NCC3CC3)n2)c1F
InChIInChI=1S/C20H18ClF2N3O2/c1-27-14-7-15(28-2)19(23)17(18(14)22)13-5-11-9-24-16(21)6-12(11)20(26-13)25-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,25,26)
InChIKeyDUKHOTPCGVDBQH-UHFFFAOYSA-N
XLogP5.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The IUPAC name of 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine (CID 139385182) is 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine.
What is the SMILES notation for 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The canonical SMILES for 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine is COc1cc(OC)c(F)c(-c2cc3cnc(Cl)cc3c(NCC3CC3)n2)c1F.
What is the InChIKey of 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
The InChIKey is DUKHOTPCGVDBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c1-27-14-7-15(28-2)19(23)17(18(14)22)13-5-11-9-24-16(21)6-12(11)20(26-13)25-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,25,26).
What are the key properties of 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine?
7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine has a molecular weight of 405.83 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(cyclopropylmethyl)-3-(2,6-difluoro-3,5-dimethoxyphenyl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 139385182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).