1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea

C15H16F2N4O — CID 113021903

IUPAC1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H16F2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyQWNQVYHFBCWCEB-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.63
Rot. Bonds4

About 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea

1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113021903) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113021903
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C15H16F2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyQWNQVYHFBCWCEB-UHFFFAOYSA-N
XLogP3.63
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113022247
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
2-(4-chlorophenoxy)-N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021877
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea (CID 113021903) is 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is QWNQVYHFBCWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-9(2)19-15(22)20-11-4-6-14(18-8-11)21-13-5-3-10(16)7-12(13)17/h3-9H,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea?
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 306.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113021903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).