3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea

C16H21N5O — CID 122572315

IUPAC3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCN(Cc1cccnc1)C(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C16H21N5O/c1-20(10-14-3-2-6-17-9-14)15(22)19-11-16(4-5-16)12-21-8-7-18-13-21/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,19,22)
InChIKeyHJYHUJWQJPMXID-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.90
Rot. Bonds6

About 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea

3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 122572315) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
PubChem CID122572315
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
SMILESCN(Cc1cccnc1)C(=O)NCC1(Cn2ccnc2)CC1
InChIInChI=1S/C16H21N5O/c1-20(10-14-3-2-6-17-9-14)15(22)19-11-16(4-5-16)12-21-8-7-18-13-21/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,19,22)
InChIKeyHJYHUJWQJPMXID-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 125444082
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 91828484
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)spiro[2.2]pentane-2-carboxamide
CID 119069459
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657
1-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43563437
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea (CID 122572315) is 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea is CN(Cc1cccnc1)C(=O)NCC1(Cn2ccnc2)CC1.
What is the InChIKey of 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is HJYHUJWQJPMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(10-14-3-2-6-17-9-14)15(22)19-11-16(4-5-16)12-21-8-7-18-13-21/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,19,22).
What are the key properties of 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea?
3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 299.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-1-methyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 122572315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).