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

C19H22N4O — CID 109202122

IUPAC4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C19H22N4O/c1-2-9-21-19(24)18-15-17(8-10-20-18)23-13-11-22(12-14-23)16-6-4-3-5-7-16/h2-8,10,15H,1,9,11-14H2,(H,21,24)
InChIKeyBLVQGRLLOSNWPC-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.32
Rot. Bonds5

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

4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202122) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202122
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C19H22N4O/c1-2-9-21-19(24)18-15-17(8-10-20-18)23-13-11-22(12-14-23)16-6-4-3-5-7-16/h2-8,10,15H,1,9,11-14H2,(H,21,24)
InChIKeyBLVQGRLLOSNWPC-UHFFFAOYSA-N
XLogP2.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.32
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-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413
4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202250
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 11854994

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide (CID 109202122) is 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(N2CCN(c3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is BLVQGRLLOSNWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-9-21-19(24)18-15-17(8-10-20-18)23-13-11-22(12-14-23)16-6-4-3-5-7-16/h2-8,10,15H,1,9,11-14H2,(H,21,24).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).