2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

C19H32N4O — CID 84576829

IUPAC2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)NC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C19H32N4O/c1-18(2,3)14-19(4,5)21-17(24)15-8-7-9-20-16(15)23-12-10-22(6)11-13-23/h7-9H,10-14H2,1-6H3,(H,21,24)
InChIKeyLHDOFSCEZIVXJS-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide

2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (PubChem CID 84576829) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
PubChem CID84576829
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)NC(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C19H32N4O/c1-18(2,3)14-19(4,5)21-17(24)15-8-7-9-20-16(15)23-12-10-22(6)11-13-23/h7-9H,10-14H2,1-6H3,(H,21,24)
InChIKeyLHDOFSCEZIVXJS-UHFFFAOYSA-N
XLogP2.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
2-[[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate
CID 15678842
N-(3-fluorophenyl)-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84576179
N-methyl-2-(4-methylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 84576816
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574698
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide (CID 84576829) is 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is CN1CCN(c2ncccc2C(=O)NC(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
The InChIKey is LHDOFSCEZIVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-18(2,3)14-19(4,5)21-17(24)15-8-7-9-20-16(15)23-12-10-22(6)11-13-23/h7-9H,10-14H2,1-6H3,(H,21,24).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 84576829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).