1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea

C17H15Cl2N5O — CID 5328994

IUPAC1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-2-21-17(25)24-16-10(15-11(18)4-3-5-12(15)19)6-9-8-22-14(20)7-13(9)23-16/h3-8H,2H2,1H3,(H2,20,22)(H2,21,23,24,25)
InChIKeySHMZPLWJQVFWLG-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.33
Rot. Bonds3

About 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea

1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea (PubChem CID 5328994) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
PubChem CID5328994
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O/c1-2-21-17(25)24-16-10(15-11(18)4-3-5-12(15)19)6-9-8-22-14(20)7-13(9)23-16/h3-8H,2H2,1H3,(H2,20,22)(H2,21,23,24,25)
InChIKeySHMZPLWJQVFWLG-UHFFFAOYSA-N
XLogP4.33
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
The IUPAC name of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea (CID 5328994) is 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
The InChIKey is SHMZPLWJQVFWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-2-21-17(25)24-16-10(15-11(18)4-3-5-12(15)19)6-9-8-22-14(20)7-13(9)23-16/h3-8H,2H2,1H3,(H2,20,22)(H2,21,23,24,25).
What are the key properties of 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea has a molecular weight of 376.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(2,6-dichlorophenyl)-1,6-naphthyridin-2-yl]-3-ethylurea is sourced from PubChem (CID 5328994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).