1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea

C21H22N4O — CID 69171147

IUPAC1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea
SMILESCN(Cc1ccc(CNC(=O)Nc2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C21H22N4O/c1-25(20-9-5-6-14-22-20)16-18-12-10-17(11-13-18)15-23-21(26)24-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,23,24,26)
InChIKeyCFVLFXDXTSCNCT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds6

About 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea

1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea (PubChem CID 69171147) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea
PubChem CID69171147
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea
SMILESCN(Cc1ccc(CNC(=O)Nc2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C21H22N4O/c1-25(20-9-5-6-14-22-20)16-18-12-10-17(11-13-18)15-23-21(26)24-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,23,24,26)
InChIKeyCFVLFXDXTSCNCT-UHFFFAOYSA-N
XLogP4.04
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67046735
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CID 24664594
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[4-(benzenesulfonyl)phenyl]-3-[[6-(dimethylamino)-3-pyridinyl]methyl]urea
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N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
CID 119047435
methyl 4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoylamino]benzoate
CID 47039872
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea (CID 69171147) is 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea is CN(Cc1ccc(CNC(=O)Nc2ccccc2)cc1)c1ccccn1.
What is the InChIKey of 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea?
The InChIKey is CFVLFXDXTSCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(20-9-5-6-14-22-20)16-18-12-10-17(11-13-18)15-23-21(26)24-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,23,24,26).
What are the key properties of 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea?
1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea has a molecular weight of 346.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea is sourced from PubChem (CID 69171147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).