1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea

C19H22N6O2 — CID 146129615

IUPAC1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC(O)c3ccncc3)CC2)nc1
InChIInChI=1S/C19H22N6O2/c20-11-14-1-2-18(22-12-14)25-9-5-16(6-10-25)24-19(27)23-13-17(26)15-3-7-21-8-4-15/h1-4,7-8,12,16-17,26H,5-6,9-10,13H2,(H2,23,24,27)
InChIKeyFNUXMMPOVIFDDW-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.35
Rot. Bonds5

About 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea

1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea (PubChem CID 146129615) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
PubChem CID146129615
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC(O)c3ccncc3)CC2)nc1
InChIInChI=1S/C19H22N6O2/c20-11-14-1-2-18(22-12-14)25-9-5-16(6-10-25)24-19(27)23-13-17(26)15-3-7-21-8-4-15/h1-4,7-8,12,16-17,26H,5-6,9-10,13H2,(H2,23,24,27)
InChIKeyFNUXMMPOVIFDDW-UHFFFAOYSA-N
XLogP1.35
TPSA114.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea with MolForge

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Related Compounds

1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86884535
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 86884444
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228
6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
CID 158084362
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-N-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70900267
6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133294350
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea (CID 146129615) is 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea is N#Cc1ccc(N2CCC(NC(=O)NCC(O)c3ccncc3)CC2)nc1.
What is the InChIKey of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea?
The InChIKey is FNUXMMPOVIFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-11-14-1-2-18(22-12-14)25-9-5-16(6-10-25)24-19(27)23-13-17(26)15-3-7-21-8-4-15/h1-4,7-8,12,16-17,26H,5-6,9-10,13H2,(H2,23,24,27).
What are the key properties of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea?
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea has a molecular weight of 366.43 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 146129615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).