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

C19H21N5O3 — CID 5328998

IUPAC1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21N5O3/c1-4-21-19(25)24-18-15(7-12-10-22-17(20)9-16(12)23-18)11-5-13(26-2)8-14(6-11)27-3/h5-10H,4H2,1-3H3,(H2,20,22)(H2,21,23,24,25)
InChIKeyANRWHDLTBMMQJD-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.04
Rot. Bonds5

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

1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea (PubChem CID 5328998) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
PubChem CID5328998
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H21N5O3/c1-4-21-19(25)24-18-15(7-12-10-22-17(20)9-16(12)23-18)11-5-13(26-2)8-14(6-11)27-3/h5-10H,4H2,1-3H3,(H2,20,22)(H2,21,23,24,25)
InChIKeyANRWHDLTBMMQJD-UHFFFAOYSA-N
XLogP3.04
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.04
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-ethylurea?
The IUPAC name of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea (CID 5328998) is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
The canonical SMILES for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
The InChIKey is ANRWHDLTBMMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-21-19(25)24-18-15(7-12-10-22-17(20)9-16(12)23-18)11-5-13(26-2)8-14(6-11)27-3/h5-10H,4H2,1-3H3,(H2,20,22)(H2,21,23,24,25).
What are the key properties of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea?
1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-ethylurea has a molecular weight of 367.41 g/mol, XLogP of 3.04, 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-ethylurea is sourced from PubChem (CID 5328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).