4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide

C17H20N4O — CID 59676624

IUPAC4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C17H20N4O/c1-14-7-8-16(18-13-14)20-9-11-21(12-10-20)17(22)19-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,22)
InChIKeyDEWDMJCIYDXRFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.74
Rot. Bonds2

About 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide

4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 59676624) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
PubChem CID59676624
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1
InChIInChI=1S/C17H20N4O/c1-14-7-8-16(18-13-14)20-9-11-21(12-10-20)17(22)19-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,22)
InChIKeyDEWDMJCIYDXRFF-UHFFFAOYSA-N
XLogP2.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063682
N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063684
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-methyl-6-propan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393230
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334278
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122334859
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
methane;1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide;bis(4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide)
CID 161299123
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide (CID 59676624) is 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3ccccc3)CC2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is DEWDMJCIYDXRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-14-7-8-16(18-13-14)20-9-11-21(12-10-20)17(22)19-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,19,22).
What are the key properties of 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide?
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 59676624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).