1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

C17H24N6O — CID 71895021

IUPAC1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC1CCCCN1CCNC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H24N6O/c1-14-5-2-3-10-22(14)12-9-18-17(24)21-15-6-7-16(19-13-15)23-11-4-8-20-23/h4,6-8,11,13-14H,2-3,5,9-10,12H2,1H3,(H2,18,21,24)
InChIKeyZQPXWDSUPPRQEP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.26
Rot. Bonds5

About 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea

1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 71895021) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID71895021
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
SMILESCC1CCCCN1CCNC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H24N6O/c1-14-5-2-3-10-22(14)12-9-18-17(24)21-15-6-7-16(19-13-15)23-11-4-8-20-23/h4,6-8,11,13-14H,2-3,5,9-10,12H2,1H3,(H2,18,21,24)
InChIKeyZQPXWDSUPPRQEP-UHFFFAOYSA-N
XLogP2.26
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94166826
1-(1-ethylpyrazol-4-yl)-3-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]urea
CID 94145583
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94030807
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94179429
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(6-pyrazol-1-yl-3-pyridinyl)-3-(pyridin-2-ylmethyl)urea
CID 47040705
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 94099324
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea (CID 71895021) is 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is CC1CCCCN1CCNC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is ZQPXWDSUPPRQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-5-2-3-10-22(14)12-9-18-17(24)21-15-6-7-16(19-13-15)23-11-4-8-20-23/h4,6-8,11,13-14H,2-3,5,9-10,12H2,1H3,(H2,18,21,24).
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea?
1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 71895021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).