4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide

C21H25N5O2 — CID 55589982

IUPAC4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-16(2)28-19-5-3-17(4-6-19)15-24-21(27)26-11-9-25(10-12-26)20-13-18(14-22)7-8-23-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,24,27)
InChIKeySZNQCHOZHRHMGM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds5

About 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide

4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 55589982) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID55589982
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H25N5O2/c1-16(2)28-19-5-3-17(4-6-19)15-24-21(27)26-11-9-25(10-12-26)20-13-18(14-22)7-8-23-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,24,27)
InChIKeySZNQCHOZHRHMGM-UHFFFAOYSA-N
XLogP2.77
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
CID 55578796
4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 51084077
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55793953
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-(4-cyano-2-pyridinyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperazine-1-carboxamide
CID 55909740
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide (CID 55589982) is 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide is CC(C)Oc1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is SZNQCHOZHRHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16(2)28-19-5-3-17(4-6-19)15-24-21(27)26-11-9-25(10-12-26)20-13-18(14-22)7-8-23-20/h3-8,13,16H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide?
4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55589982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).