2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide

C16H24N4O2 — CID 96526874

IUPAC2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)N[C@@H]3CCCOC3)ccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-19-6-8-20(9-7-19)15-11-13(4-5-17-15)16(21)18-14-3-2-10-22-12-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyMRIJJPLUICJVQU-CQSZACIVSA-N
MW304.39 g/mol
LogP0.74
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide (PubChem CID 96526874) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
PubChem CID96526874
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)N[C@@H]3CCCOC3)ccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-19-6-8-20(9-7-19)15-11-13(4-5-17-15)16(21)18-14-3-2-10-22-12-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyMRIJJPLUICJVQU-CQSZACIVSA-N
XLogP0.74
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 119464005

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide (CID 96526874) is 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)N[C@@H]3CCCOC3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide?
The InChIKey is MRIJJPLUICJVQU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-6-8-20(9-7-19)15-11-13(4-5-17-15)16(21)18-14-3-2-10-22-12-14/h4-5,11,14H,2-3,6-10,12H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 96526874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).