1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea

C15H14F2N4O — CID 113023257

IUPAC1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)nc1)NC1CC1
InChIInChI=1S/C15H14F2N4O/c16-12-5-3-10(7-13(12)17)19-14-6-4-11(8-18-14)21-15(22)20-9-1-2-9/h3-9H,1-2H2,(H,18,19)(H2,20,21,22)
InChIKeyWVMHGRWFWHDIGG-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.39
Rot. Bonds4

About 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea

1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea (PubChem CID 113023257) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
PubChem CID113023257
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2)nc1)NC1CC1
InChIInChI=1S/C15H14F2N4O/c16-12-5-3-10(7-13(12)17)19-14-6-4-11(8-18-14)21-15(22)20-9-1-2-9/h3-9H,1-2H2,(H,18,19)(H2,20,21,22)
InChIKeyWVMHGRWFWHDIGG-UHFFFAOYSA-N
XLogP3.39
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea (CID 113023257) is 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea is O=C(Nc1ccc(Nc2ccc(F)c(F)c2)nc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea?
The InChIKey is WVMHGRWFWHDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-12-5-3-10(7-13(12)17)19-14-6-4-11(8-18-14)21-15(22)20-9-1-2-9/h3-9H,1-2H2,(H,18,19)(H2,20,21,22).
What are the key properties of 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea?
1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea has a molecular weight of 304.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea is sourced from PubChem (CID 113023257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).