N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C18H21N5O — CID 109224016

IUPACN-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N5O/c1-2-6-21-18(24)15-12-16(14-19-13-15)22-8-10-23(11-9-22)17-5-3-4-7-20-17/h2-5,7,12-14H,1,6,8-11H2,(H,21,24)
InChIKeyKLKHBADVSQBQLY-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.72
Rot. Bonds5

About N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109224016) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109224016
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H21N5O/c1-2-6-21-18(24)15-12-16(14-19-13-15)22-8-10-23(11-9-22)17-5-3-4-7-20-17/h2-5,7,12-14H,1,6,8-11H2,(H,21,24)
InChIKeyKLKHBADVSQBQLY-UHFFFAOYSA-N
XLogP1.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
5-(3-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109224030
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
2,2-dimethyl-3-oxo-N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957634
6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 7998646
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-prop-2-enylpyridine-3-carboxamide
CID 109101767
5-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271995

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109224016) is N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is C=CCNC(=O)c1cncc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KLKHBADVSQBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-6-21-18(24)15-12-16(14-19-13-15)22-8-10-23(11-9-22)17-5-3-4-7-20-17/h2-5,7,12-14H,1,6,8-11H2,(H,21,24).
What are the key properties of N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109224016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).