1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea

C20H19N3O — CID 87008945

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
SMILESCc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-15-6-5-9-19(22-15)14-21-20(24)23-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,23,24)
InChIKeyXCPOVJOCFXZUMW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.38
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea

1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea (PubChem CID 87008945) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
PubChem CID87008945
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
SMILESCc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O/c1-15-6-5-9-19(22-15)14-21-20(24)23-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,23,24)
InChIKeyXCPOVJOCFXZUMW-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
1-[4-(trifluoromethyl)phenyl]-3-[[6-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]-2-pyridinyl]methyl]urea
CID 122226336

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea (CID 87008945) is 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea is Cc1cccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea?
The InChIKey is XCPOVJOCFXZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-6-5-9-19(22-15)14-21-20(24)23-18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H2,21,23,24).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea?
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea has a molecular weight of 317.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea is sourced from PubChem (CID 87008945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).