1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea

C20H25N5O2 — CID 113029407

IUPAC1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)NC3CC3)nc2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-5-3-2-4-17(18)25-12-10-24(11-13-25)16-8-9-19(21-14-16)23-20(26)22-15-6-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H2,21,22,23,26)
InChIKeyVFEINKPQNJSKNW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea

1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea (PubChem CID 113029407) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
PubChem CID113029407
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)NC3CC3)nc2)CC1
InChIInChI=1S/C20H25N5O2/c1-27-18-5-3-2-4-17(18)25-12-10-24(11-13-25)16-8-9-19(21-14-16)23-20(26)22-15-6-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H2,21,22,23,26)
InChIKeyVFEINKPQNJSKNW-UHFFFAOYSA-N
XLogP2.70
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea with MolForge

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653840
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
N-cyclopentyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109273939
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea (CID 113029407) is 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea is COc1ccccc1N1CCN(c2ccc(NC(=O)NC3CC3)nc2)CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea?
The InChIKey is VFEINKPQNJSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-27-18-5-3-2-4-17(18)25-12-10-24(11-13-25)16-8-9-19(21-14-16)23-20(26)22-15-6-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H2,21,22,23,26).
What are the key properties of 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea?
1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea has a molecular weight of 367.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea is sourced from PubChem (CID 113029407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).