1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea

C15H17N3O — CID 41430623

IUPAC1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-5-7-14(8-6-11)18-15(19)17-12(2)13-4-3-9-16-10-13/h3-10,12H,1-2H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyNWFMROBHFDCXRI-GFCCVEGCSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea

1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea (PubChem CID 41430623) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
PubChem CID41430623
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
SMILESCc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-5-7-14(8-6-11)18-15(19)17-12(2)13-4-3-9-16-10-13/h3-10,12H,1-2H3,(H2,17,18,19)/t12-/m1/s1
InChIKeyNWFMROBHFDCXRI-GFCCVEGCSA-N
XLogP3.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 99714676
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95326792
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea (CID 41430623) is 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea is Cc1ccc(NC(=O)N[C@H](C)c2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea?
The InChIKey is NWFMROBHFDCXRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-5-7-14(8-6-11)18-15(19)17-12(2)13-4-3-9-16-10-13/h3-10,12H,1-2H3,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea?
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea has a molecular weight of 255.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea is sourced from PubChem (CID 41430623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).