1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea

C18H21N3O2 — CID 96526448

IUPAC1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)N(C[C@@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H21N3O2/c22-17(15-4-2-1-3-5-15)13-21(16-6-7-16)18(23)20-12-14-8-10-19-11-9-14/h1-5,8-11,16-17,22H,6-7,12-13H2,(H,20,23)/t17-/m1/s1
InChIKeyKIGUZAYZJRYLLF-QGZVFWFLSA-N
MW311.38 g/mol
LogP2.49
Rot. Bonds6

About 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea

1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 96526448) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID96526448
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)N(C[C@@H](O)c1ccccc1)C1CC1
InChIInChI=1S/C18H21N3O2/c22-17(15-4-2-1-3-5-15)13-21(16-6-7-16)18(23)20-12-14-8-10-19-11-9-14/h1-5,8-11,16-17,22H,6-7,12-13H2,(H,20,23)/t17-/m1/s1
InChIKeyKIGUZAYZJRYLLF-QGZVFWFLSA-N
XLogP2.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)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-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(pyridin-2-ylmethyl)urea
CID 111793378
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 111722540
1-cyclohexyl-3-[(3-ethylimidazol-4-yl)methyl]-1-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 125435291
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
5-chloro-N-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]pyridine-2-carboxamide
CID 97237339
1-(2-hydroxyphenyl)-3-(pyridin-4-ylmethyl)-1-sulfanylurea
CID 56995239
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
1-cyclopropyl-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111795178
3-(2-chloro-4-fluorophenyl)-1-cyclopropyl-1-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 95972891
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea (CID 96526448) is 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)N(C[C@@H](O)c1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is KIGUZAYZJRYLLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(15-4-2-1-3-5-15)13-21(16-6-7-16)18(23)20-12-14-8-10-19-11-9-14/h1-5,8-11,16-17,22H,6-7,12-13H2,(H,20,23)/t17-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea?
1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 311.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2S)-2-hydroxy-2-phenylethyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 96526448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).