1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea

C17H22N4O2 — CID 113019637

IUPAC1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCCOc1ccccc1Nc1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-4-23-15-8-6-5-7-14(15)21-16-10-9-13(11-18-16)20-17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyHVMWGOFDAYRISW-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.75
Rot. Bonds6

About 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea

1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea (PubChem CID 113019637) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
PubChem CID113019637
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
SMILESCCOc1ccccc1Nc1ccc(NC(=O)NC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-4-23-15-8-6-5-7-14(15)21-16-10-9-13(11-18-16)20-17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,18,21)(H2,19,20,22)
InChIKeyHVMWGOFDAYRISW-UHFFFAOYSA-N
XLogP3.75
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
1-[5-(2-bromoanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113035995
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
1-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021903
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
1-[6-(2,4-dichloroanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113022247
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
5-(2-ethoxyanilino)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292013

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea (CID 113019637) is 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea is CCOc1ccccc1Nc1ccc(NC(=O)NC(C)C)cn1.
What is the InChIKey of 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea?
The InChIKey is HVMWGOFDAYRISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-23-15-8-6-5-7-14(15)21-16-10-9-13(11-18-16)20-17(22)19-12(2)3/h5-12H,4H2,1-3H3,(H,18,21)(H2,19,20,22).
What are the key properties of 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea?
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea has a molecular weight of 314.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113019637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).