4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide

C19H22N6O — CID 139548010

IUPAC4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1
InChIInChI=1S/C19H22N6O/c1-14(2)16-4-5-17(21-13-16)23-19(26)25-9-7-24(8-10-25)18-6-3-15(11-20)12-22-18/h3-6,12-14H,7-10H2,1-2H3,(H,21,23,26)
InChIKeyGLQRVQDUEBPJDT-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.83
Rot. Bonds3

About 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 139548010) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID139548010
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1
InChIInChI=1S/C19H22N6O/c1-14(2)16-4-5-17(21-13-16)23-19(26)25-9-7-24(8-10-25)18-6-3-15(11-20)12-22-18/h3-6,12-14H,7-10H2,1-2H3,(H,21,23,26)
InChIKeyGLQRVQDUEBPJDT-UHFFFAOYSA-N
XLogP2.83
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
4-(4-cyanophenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 23799232
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
N-butyl-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 2747242
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide (CID 139548010) is 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is GLQRVQDUEBPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(2)16-4-5-17(21-13-16)23-19(26)25-9-7-24(8-10-25)18-6-3-15(11-20)12-22-18/h3-6,12-14H,7-10H2,1-2H3,(H,21,23,26).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 139548010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).