1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea

C16H19N3OS — CID 119060069

IUPAC1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccsc1CN(C(=O)NCc1cccnc1)C1CC1
InChIInChI=1S/C16H19N3OS/c1-12-6-8-21-15(12)11-19(14-4-5-14)16(20)18-10-13-3-2-7-17-9-13/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyRNJWDBZEQMZWOC-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.33
Rot. Bonds5

About 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea

1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 119060069) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID119060069
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccsc1CN(C(=O)NCc1cccnc1)C1CC1
InChIInChI=1S/C16H19N3OS/c1-12-6-8-21-15(12)11-19(14-4-5-14)16(20)18-10-13-3-2-7-17-9-13/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,18,20)
InChIKeyRNJWDBZEQMZWOC-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-cyclopropyl-3-(2-methyl-4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea
CID 86797034
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-[cyclopropyl-[(E)-4-oxo-4-(pyridin-3-ylmethylamino)but-2-enoyl]amino]acetic acid
CID 167977999
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
N-benzyl-2-[cyclopropyl-[(4-methylphenyl)carbamoyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 46114415
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea (CID 119060069) is 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea is Cc1ccsc1CN(C(=O)NCc1cccnc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RNJWDBZEQMZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-6-8-21-15(12)11-19(14-4-5-14)16(20)18-10-13-3-2-7-17-9-13/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,18,20).
What are the key properties of 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea?
1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 301.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 119060069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).