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

C18H19N5O3 — CID 5328997

IUPAC1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-20-18(24)23-17-14(6-11-9-21-16(19)8-15(11)22-17)10-4-12(25-2)7-13(5-10)26-3/h4-9H,1-3H3,(H2,19,21)(H2,20,22,23,24)
InChIKeyQBBDXJPRXHFUCL-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.65
Rot. Bonds4

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

1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea (PubChem CID 5328997) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea
PubChem CID5328997
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H19N5O3/c1-20-18(24)23-17-14(6-11-9-21-16(19)8-15(11)22-17)10-4-12(25-2)7-13(5-10)26-3/h4-9H,1-3H3,(H2,19,21)(H2,20,22,23,24)
InChIKeyQBBDXJPRXHFUCL-UHFFFAOYSA-N
XLogP2.65
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((4-(Diethylamino)butyl)amino)-6-(3,5-dimethoxyphenyl)pyrido(2,3-d)pyrimidin-7-yl)-N'-(1,1-dimethylethyl)urea
CID 1401
PD-166866
CID 5328127
N-{2-[(tert-butylcarbamoyl)amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl}acetamide
CID 5329001
1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
3-Tert-butyl-1-[3-(3,5-dimethoxyphenyl)-7-{[3-(morpholin-4-yl)propyl]amino}-1,6-naphthyridin-2-yl]urea
CID 5329004
1,6-Naphthyridine 17
CID 5330127
1,6-Naphthyridine 24
CID 5330134
6-(3,5-Dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328126

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea?
The IUPAC name of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea (CID 5328997) is 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea?
The canonical SMILES for 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea is CNC(=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-methylurea?
The InChIKey is QBBDXJPRXHFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-20-18(24)23-17-14(6-11-9-21-16(19)8-15(11)22-17)10-4-12(25-2)7-13(5-10)26-3/h4-9H,1-3H3,(H2,19,21)(H2,20,22,23,24).
What are the key properties of 1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea?
1-[7-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-yl]-3-methylurea has a molecular weight of 353.38 g/mol, XLogP of 2.65, 4 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-methylurea is sourced from PubChem (CID 5328997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).