1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea

C16H18N4O2 — CID 113034207

IUPAC1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-14-7-4-11(5-8-14)18-13-6-9-15(17-10-13)20-16(21)19-12-2-3-12/h4-10,12,18H,2-3H2,1H3,(H2,17,19,20,21)
InChIKeyGPWZTJHQRBNYJE-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea

1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea (PubChem CID 113034207) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
PubChem CID113034207
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea
SMILESCOc1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)cc1
InChIInChI=1S/C16H18N4O2/c1-22-14-7-4-11(5-8-14)18-13-6-9-15(17-10-13)20-16(21)19-12-2-3-12/h4-10,12,18H,2-3H2,1H3,(H2,17,19,20,21)
InChIKeyGPWZTJHQRBNYJE-UHFFFAOYSA-N
XLogP3.12
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[5-(2,4-dimethoxyanilino)-2-pyridinyl]urea
CID 113034718
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
1-[5-(4-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113034206
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
1-cyclopropyl-3-[5-(2,6-diethylanilino)-2-pyridinyl]urea
CID 113032861
1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea (CID 113034207) is 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea is COc1ccc(Nc2ccc(NC(=O)NC3CC3)nc2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea?
The InChIKey is GPWZTJHQRBNYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-14-7-4-11(5-8-14)18-13-6-9-15(17-10-13)20-16(21)19-12-2-3-12/h4-10,12,18H,2-3H2,1H3,(H2,17,19,20,21).
What are the key properties of 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea?
1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea has a molecular weight of 298.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-(4-methoxyanilino)-2-pyridinyl]urea is sourced from PubChem (CID 113034207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).