1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea

C16H17ClN4O — CID 113027296

IUPAC1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)cn1)NC1CC1
InChIInChI=1S/C16H17ClN4O/c17-12-3-1-11(2-4-12)9-18-14-7-8-15(19-10-14)21-16(22)20-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9H2,(H2,19,20,21,22)
InChIKeyXKAGFQSDIJLDLT-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.63
Rot. Bonds5

About 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea

1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea (PubChem CID 113027296) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
PubChem CID113027296
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)cn1)NC1CC1
InChIInChI=1S/C16H17ClN4O/c17-12-3-1-11(2-4-12)9-18-14-7-8-15(19-10-14)21-16(22)20-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9H2,(H2,19,20,21,22)
InChIKeyXKAGFQSDIJLDLT-UHFFFAOYSA-N
XLogP3.63
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
CID 82034183
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
CID 113015835
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
CID 113032861
1-cyclopropyl-3-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]urea
CID 113025672

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea (CID 113027296) is 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea is O=C(Nc1ccc(NCc2ccc(Cl)cc2)cn1)NC1CC1.
What is the InChIKey of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is XKAGFQSDIJLDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-12-3-1-11(2-4-12)9-18-14-7-8-15(19-10-14)21-16(22)20-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9H2,(H2,19,20,21,22).
What are the key properties of 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea?
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 316.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 113027296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).