1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea

C20H20N4O2 — CID 68523303

IUPAC1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3ccnc(N)c3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-26-18-4-2-3-14(11-18)13-23-20(25)24-17-7-5-15(6-8-17)16-9-10-22-19(21)12-16/h2-12H,13H2,1H3,(H2,21,22)(H2,23,24,25)
InChIKeyIFVYEXXVNRWBHH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.66
Rot. Bonds5

About 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea

1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 68523303) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID68523303
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2ccc(-c3ccnc(N)c3)cc2)c1
InChIInChI=1S/C20H20N4O2/c1-26-18-4-2-3-14(11-18)13-23-20(25)24-17-7-5-15(6-8-17)16-9-10-22-19(21)12-16/h2-12H,13H2,1H3,(H2,21,22)(H2,23,24,25)
InChIKeyIFVYEXXVNRWBHH-UHFFFAOYSA-N
XLogP3.66
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea (CID 68523303) is 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2ccc(-c3ccnc(N)c3)cc2)c1.
What is the InChIKey of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is IFVYEXXVNRWBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-18-4-2-3-14(11-18)13-23-20(25)24-17-7-5-15(6-8-17)16-9-10-22-19(21)12-16/h2-12H,13H2,1H3,(H2,21,22)(H2,23,24,25).
What are the key properties of 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 68523303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).