1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea

C19H26N4O2 — CID 50830130

IUPAC1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCN(CC)c1cc(CNC(=O)Nc2cc(C)ccc2OC)ccn1
InChIInChI=1S/C19H26N4O2/c1-5-23(6-2)18-12-15(9-10-20-18)13-21-19(24)22-16-11-14(3)7-8-17(16)25-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,24)
InChIKeyGFPZRSZMPXKNEA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.57
Rot. Bonds7

About 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea

1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 50830130) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID50830130
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCN(CC)c1cc(CNC(=O)Nc2cc(C)ccc2OC)ccn1
InChIInChI=1S/C19H26N4O2/c1-5-23(6-2)18-12-15(9-10-20-18)13-21-19(24)22-16-11-14(3)7-8-17(16)25-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,24)
InChIKeyGFPZRSZMPXKNEA-UHFFFAOYSA-N
XLogP3.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
CID 50830215
ethyl 2-[4-[[2-(diethylamino)-4-pyridinyl]methylcarbamoylamino]phenyl]acetate
CID 53206048
1-(2-butoxy-5-methoxyphenyl)-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86988518
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 55743312
1-(2-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86987150
1-(2-bromo-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 55696398
1-(2-chloro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86986628
1-(3-methoxy-2,5-dimethylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 122146938

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea (CID 50830130) is 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea is CCN(CC)c1cc(CNC(=O)Nc2cc(C)ccc2OC)ccn1.
What is the InChIKey of 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is GFPZRSZMPXKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-23(6-2)18-12-15(9-10-20-18)13-21-19(24)22-16-11-14(3)7-8-17(16)25-4/h7-12H,5-6,13H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 50830130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).