1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea

C19H28N6O — CID 125169528

IUPAC1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C19H28N6O/c1-2-11-25-18(8-10-22-25)23-19(26)21-15-17(16-7-6-9-20-14-16)24-12-4-3-5-13-24/h6-10,14,17H,2-5,11-13,15H2,1H3,(H2,21,23,26)/t17-/m1/s1
InChIKeyGFGVVXLUBMEBLO-QGZVFWFLSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea

1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea (PubChem CID 125169528) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
PubChem CID125169528
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@H](c1cccnc1)N1CCCCC1
InChIInChI=1S/C19H28N6O/c1-2-11-25-18(8-10-22-25)23-19(26)21-15-17(16-7-6-9-20-14-16)24-12-4-3-5-13-24/h6-10,14,17H,2-5,11-13,15H2,1H3,(H2,21,23,26)/t17-/m1/s1
InChIKeyGFGVVXLUBMEBLO-QGZVFWFLSA-N
XLogP3.04
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
CID 125167669
1-propyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 166207360
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
CID 131907416
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94153994
N',N'-diethyl-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166229779
N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72916413
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97145393
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea (CID 125169528) is 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)NC[C@H](c1cccnc1)N1CCCCC1.
What is the InChIKey of 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is GFGVVXLUBMEBLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N6O/c1-2-11-25-18(8-10-22-25)23-19(26)21-15-17(16-7-6-9-20-14-16)24-12-4-3-5-13-24/h6-10,14,17H,2-5,11-13,15H2,1H3,(H2,21,23,26)/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea?
1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 356.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 125169528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).