1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea

C15H17FN4O — CID 107595364

IUPAC1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C15H17FN4O/c1-10(17-2)11-4-3-5-12(8-11)19-15(21)20-14-6-7-18-9-13(14)16/h3-10,17H,1-2H3,(H2,18,19,20,21)
InChIKeyJDKRYOKNWFDDKZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 107595364) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID107595364
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)Nc2ccncc2F)c1
InChIInChI=1S/C15H17FN4O/c1-10(17-2)11-4-3-5-12(8-11)19-15(21)20-14-6-7-18-9-13(14)16/h3-10,17H,1-2H3,(H2,18,19,20,21)
InChIKeyJDKRYOKNWFDDKZ-UHFFFAOYSA-N
XLogP3.15
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61340343
1-[1-(3-ethoxyphenyl)ethyl]-3-(3-fluoro-4-pyridinyl)urea
CID 75506348
(2R)-2-(3-fluorophenyl)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124569903
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
2-chloro-N-(3-fluoro-4-pyridinyl)-2-phenylacetamide
CID 107594821
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 107595364) is 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)Nc2ccncc2F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is JDKRYOKNWFDDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10(17-2)11-4-3-5-12(8-11)19-15(21)20-14-6-7-18-9-13(14)16/h3-10,17H,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 288.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 107595364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).