1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea

C17H19N3O — CID 51469806

IUPAC1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C17H19N3O/c21-17(19-12-15-8-4-5-11-18-15)20-16(14-9-10-14)13-6-2-1-3-7-13/h1-8,11,14,16H,9-10,12H2,(H2,19,20,21)/t16-/m1/s1
InChIKeyZQRCZBGBNVIKJH-MRXNPFEDSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds5

About 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea

1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 51469806) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID51469806
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C17H19N3O/c21-17(19-12-15-8-4-5-11-18-15)20-16(14-9-10-14)13-6-2-1-3-7-13/h1-8,11,14,16H,9-10,12H2,(H2,19,20,21)/t16-/m1/s1
InChIKeyZQRCZBGBNVIKJH-MRXNPFEDSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46673701
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea (CID 51469806) is 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is ZQRCZBGBNVIKJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(19-12-15-8-4-5-11-18-15)20-16(14-9-10-14)13-6-2-1-3-7-13/h1-8,11,14,16H,9-10,12H2,(H2,19,20,21)/t16-/m1/s1.
What are the key properties of 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea?
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 281.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 51469806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).