3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea

C12H17FN4O — CID 154764943

IUPAC3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C12H17FN4O/c1-16-6-5-10(8-16)17(2)12(18)15-11-4-3-9(13)7-14-11/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,15,18)
InChIKeySRBBHSJNAFYZFD-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.39
Rot. Bonds2

About 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea

3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea (PubChem CID 154764943) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
PubChem CID154764943
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2ccc(F)cn2)C1
InChIInChI=1S/C12H17FN4O/c1-16-6-5-10(8-16)17(2)12(18)15-11-4-3-9(13)7-14-11/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,15,18)
InChIKeySRBBHSJNAFYZFD-UHFFFAOYSA-N
XLogP1.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
CID 99597516
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129340335
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]urea
CID 129340336
3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
CID 71048951
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
1-methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-phenylmethoxyphenyl)urea
CID 72928602
tert-butyl 3-[[5-(3,5-difluorophenyl)-2-pyridinyl]carbamoyl-methylamino]pyrrolidine-1-carboxylate;3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)urea
CID 159649404
1-methyl-1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 56837042
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128998901
3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 86800008
3-[6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]-1-methyl-1-[(3R)-1-methylpiperidin-3-yl]urea
CID 69008179

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea (CID 154764943) is 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea is CN1CCC(N(C)C(=O)Nc2ccc(F)cn2)C1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is SRBBHSJNAFYZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-16-6-5-10(8-16)17(2)12(18)15-11-4-3-9(13)7-14-11/h3-4,7,10H,5-6,8H2,1-2H3,(H,14,15,18).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea?
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 252.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 154764943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).