1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea

C16H21N5O — CID 95133629

IUPAC1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C16H21N5O/c1-13(10-20-9-8-17-12-20)19-16(22)21(15-5-6-15)11-14-4-2-3-7-18-14/h2-4,7-9,12-13,15H,5-6,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyCPLJNJWTPNNLQS-ZDUSSCGKSA-N
MW299.38 g/mol
LogP2.04
Rot. Bonds6

About 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea

1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 95133629) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
PubChem CID95133629
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
SMILESC[C@@H](Cn1ccnc1)NC(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C16H21N5O/c1-13(10-20-9-8-17-12-20)19-16(22)21(15-5-6-15)11-14-4-2-3-7-18-14/h2-4,7-9,12-13,15H,5-6,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyCPLJNJWTPNNLQS-ZDUSSCGKSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea with MolForge

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Related Compounds

2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156418
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94174687
2-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 107904243
2-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 54869781
3-amino-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62670174
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94122786
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea (CID 95133629) is 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea is C[C@@H](Cn1ccnc1)NC(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea?
The InChIKey is CPLJNJWTPNNLQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(10-20-9-8-17-12-20)19-16(22)21(15-5-6-15)11-14-4-2-3-7-18-14/h2-4,7-9,12-13,15H,5-6,10-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea?
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 299.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 95133629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).