2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide

C16H25N5O — CID 119428584

IUPAC2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCCNC3)ccn2)CC1
InChIInChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-11-13(4-6-18-15)16(22)19-14-3-2-5-17-12-14/h4,6,11,14,17H,2-3,5,7-10,12H2,1H3,(H,19,22)
InChIKeyZMERCKCDXFHHMC-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.32
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide (PubChem CID 119428584) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
PubChem CID119428584
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCCNC3)ccn2)CC1
InChIInChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-11-13(4-6-18-15)16(22)19-14-3-2-5-17-12-14/h4,6,11,14,17H,2-3,5,7-10,12H2,1H3,(H,19,22)
InChIKeyZMERCKCDXFHHMC-UHFFFAOYSA-N
XLogP0.32
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 119464005
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-piperidin-3-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119425253
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide (CID 119428584) is 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NC3CCCNC3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide?
The InChIKey is ZMERCKCDXFHHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-20-7-9-21(10-8-20)15-11-13(4-6-18-15)16(22)19-14-3-2-5-17-12-14/h4,6,11,14,17H,2-3,5,7-10,12H2,1H3,(H,19,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 119428584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).