2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide

C21H24N6O — CID 126780133

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccnn1-c1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C21H24N6O/c1-16-7-10-23-27(16)19-6-4-3-5-18(19)24-21(28)17-8-9-22-20(15-17)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyPAJIFVLFRHUFRZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 126780133) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID126780133
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCc1ccnn1-c1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C21H24N6O/c1-16-7-10-23-27(16)19-6-4-3-5-18(19)24-21(28)17-8-9-22-20(15-17)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,28)
InChIKeyPAJIFVLFRHUFRZ-UHFFFAOYSA-N
XLogP2.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119047944
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
CID 56788391
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 154801615
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146141589

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 126780133) is 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide is Cc1ccnn1-c1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is PAJIFVLFRHUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16-7-10-23-27(16)19-6-4-3-5-18(19)24-21(28)17-8-9-22-20(15-17)26-13-11-25(2)12-14-26/h3-10,15H,11-14H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 126780133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).