4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide

C14H20N4O — CID 109202089

IUPAC4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H20N4O/c1-3-5-16-14(19)13-11-12(4-6-15-13)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,16,19)
InChIKeyHXZDSXAVYKCCOM-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.75
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide

4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202089) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202089
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(C)CC2)ccn1
InChIInChI=1S/C14H20N4O/c1-3-5-16-14(19)13-11-12(4-6-15-13)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,16,19)
InChIKeyHXZDSXAVYKCCOM-UHFFFAOYSA-N
XLogP0.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208245
4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202250
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (CID 109202089) is 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(N2CCN(C)CC2)ccn1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is HXZDSXAVYKCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-5-16-14(19)13-11-12(4-6-15-13)18-9-7-17(2)8-10-18/h3-4,6,11H,1,5,7-10H2,2H3,(H,16,19).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).