1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea

C23H21N5O3 — CID 5329000

IUPAC1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21N5O3/c1-30-17-8-14(9-18(11-17)31-2)19-10-15-13-25-21(24)12-20(15)27-22(19)28-23(29)26-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,25)(H2,26,27,28,29)
InChIKeyGVPPAUNFTPWQSI-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.54
Rot. Bonds5

About 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea

1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea (PubChem CID 5329000) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea
PubChem CID5329000
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea
SMILESCOc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H21N5O3/c1-30-17-8-14(9-18(11-17)31-2)19-10-15-13-25-21(24)12-20(15)27-22(19)28-23(29)26-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,25)(H2,26,27,28,29)
InChIKeyGVPPAUNFTPWQSI-UHFFFAOYSA-N
XLogP4.54
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea?
The IUPAC name of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea (CID 5329000) is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea?
The canonical SMILES for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea is COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea?
The InChIKey is GVPPAUNFTPWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-17-8-14(9-18(11-17)31-2)19-10-15-13-25-21(24)12-20(15)27-22(19)28-23(29)26-16-6-4-3-5-7-16/h3-13H,1-2H3,(H2,24,25)(H2,26,27,28,29).
What are the key properties of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea?
1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea has a molecular weight of 415.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-phenylurea is sourced from PubChem (CID 5329000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).