6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

C20H23N5O2 — CID 133307551

IUPAC6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)nc1
InChIInChI=1S/C20H23N5O2/c1-2-9-22-20(27)16-5-8-18(23-14-16)25-12-10-24(11-13-25)17-6-3-15(4-7-17)19(21)26/h2-8,14H,1,9-13H2,(H2,21,26)(H,22,27)
InChIKeyABVMYJISKWOXRF-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.42
Rot. Bonds6

About 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133307551) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133307551
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)nc1
InChIInChI=1S/C20H23N5O2/c1-2-9-22-20(27)16-5-8-18(23-14-16)25-12-10-24(11-13-25)17-6-3-15(4-7-17)19(21)26/h2-8,14H,1,9-13H2,(H2,21,26)(H,22,27)
InChIKeyABVMYJISKWOXRF-UHFFFAOYSA-N
XLogP1.42
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133465543
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247702
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133327677
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133336874
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133479539
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109224016
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155580
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (CID 133307551) is 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)nc1.
What is the InChIKey of 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is ABVMYJISKWOXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-9-22-20(27)16-5-8-18(23-14-16)25-12-10-24(11-13-25)17-6-3-15(4-7-17)19(21)26/h2-8,14H,1,9-13H2,(H2,21,26)(H,22,27).
What are the key properties of 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133307551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).