1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea

C11H16N4O — CID 142344622

IUPAC1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
SMILESCNCc1ccnc(NC(=O)NC2CC2)c1
InChIInChI=1S/C11H16N4O/c1-12-7-8-4-5-13-10(6-8)15-11(16)14-9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H2,13,14,15,16)
InChIKeyTWUXNMDMUHTIRK-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.08
Rot. Bonds4

About 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea

1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea (PubChem CID 142344622) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
PubChem CID142344622
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
SMILESCNCc1ccnc(NC(=O)NC2CC2)c1
InChIInChI=1S/C11H16N4O/c1-12-7-8-4-5-13-10(6-8)15-11(16)14-9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H2,13,14,15,16)
InChIKeyTWUXNMDMUHTIRK-UHFFFAOYSA-N
XLogP1.08
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
CID 106911506
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
CID 75401467
1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-cyclobutylurea
CID 67199720
1-[4-(4-amino-2,3-dimethylphenoxy)-2-pyridinyl]-3-cyclopropylurea
CID 164899632
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide
CID 142686227
2-(cyclopropylamino)-N-[4-(2-phenylethyl)-2-pyridinyl]acetamide
CID 75388106

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea (CID 142344622) is 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea is CNCc1ccnc(NC(=O)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea?
The InChIKey is TWUXNMDMUHTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-7-8-4-5-13-10(6-8)15-11(16)14-9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea?
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea has a molecular weight of 220.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea is sourced from PubChem (CID 142344622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).