1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea

C11H15N3O — CID 71943890

IUPAC1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCNC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H15N3O/c1-12-11(15)14(10-2-3-10)8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,12,15)
InChIKeyRDNRXTLJGSXZJB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.39
Rot. Bonds3

About 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea

1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 71943890) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID71943890
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCNC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C11H15N3O/c1-12-11(15)14(10-2-3-10)8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,12,15)
InChIKeyRDNRXTLJGSXZJB-UHFFFAOYSA-N
XLogP1.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080120
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
CID 24535898
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
3-methyl-1-[1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl]methyl]piperidin-4-yl]-1-(pyridin-4-ylmethyl)urea
CID 142173126
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869783
1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 86842488
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea (CID 71943890) is 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea is CNC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is RDNRXTLJGSXZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-11(15)14(10-2-3-10)8-9-4-6-13-7-5-9/h4-7,10H,2-3,8H2,1H3,(H,12,15).
What are the key properties of 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea?
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 205.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 71943890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).