5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide

C21H25N5O2 — CID 109101872

IUPAC5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H25N5O2/c1-3-8-23-20(27)16-13-17(15-22-14-16)21(28)24-18-4-6-19(7-5-18)26-11-9-25(2)10-12-26/h3-7,13-15H,1,8-12H2,2H3,(H,23,27)(H,24,28)
InChIKeyZORRIWJTBLXVGG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.00
Rot. Bonds6

About 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide

5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide (PubChem CID 109101872) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
PubChem CID109101872
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
SMILESC=CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H25N5O2/c1-3-8-23-20(27)16-13-17(15-22-14-16)21(28)24-18-4-6-19(7-5-18)26-11-9-25(2)10-12-26/h3-7,13-15H,1,8-12H2,2H3,(H,23,27)(H,24,28)
InChIKeyZORRIWJTBLXVGG-UHFFFAOYSA-N
XLogP2.00
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(prop-2-enylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109224296
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide (CID 109101872) is 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide is C=CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
The InChIKey is ZORRIWJTBLXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-8-23-20(27)16-13-17(15-22-14-16)21(28)24-18-4-6-19(7-5-18)26-11-9-25(2)10-12-26/h3-7,13-15H,1,8-12H2,2H3,(H,23,27)(H,24,28).
What are the key properties of 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide?
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).