1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea

C14H15FN4O — CID 53016555

IUPAC1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
SMILESCN(C)c1ncccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O/c1-19(2)13-12(8-5-9-16-13)18-14(20)17-11-7-4-3-6-10(11)15/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyKPPSOOSDYDBUAX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea

1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea (PubChem CID 53016555) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
PubChem CID53016555
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
SMILESCN(C)c1ncccc1NC(=O)Nc1ccccc1F
InChIInChI=1S/C14H15FN4O/c1-19(2)13-12(8-5-9-16-13)18-14(20)17-11-7-4-3-6-10(11)15/h3-9H,1-2H3,(H2,17,18,20)
InChIKeyKPPSOOSDYDBUAX-UHFFFAOYSA-N
XLogP2.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(dimethylamino)-3-pyridinyl]amino]-3-oxopropanoic acid
CID 62230948
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680361
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
1-amino-N-[2-(dimethylamino)-3-pyridinyl]cyclopropane-1-carboxamide
CID 65463803
(2R)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]pentanamide
CID 107568545
6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
2-amino-N-[2-(dimethylamino)-3-pyridinyl]butanediamide
CID 54928517
3-amino-4-[[2-(dimethylamino)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896477
1-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 72718258
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712
N-[2-(dimethylamino)-3-pyridinyl]-5-hydroxypentanamide
CID 79199831

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea (CID 53016555) is 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea is CN(C)c1ncccc1NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea?
The InChIKey is KPPSOOSDYDBUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19(2)13-12(8-5-9-16-13)18-14(20)17-11-7-4-3-6-10(11)15/h3-9H,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea?
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea has a molecular weight of 274.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 53016555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).