6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

C19H22ClN5O — CID 133465543

IUPAC6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C19H22ClN5O/c1-2-7-21-19(26)15-3-6-18(23-12-15)25-10-8-24(9-11-25)14-17-5-4-16(20)13-22-17/h2-6,12-13H,1,7-11,14H2,(H,21,26)
InChIKeyZKJSFPAAFYEZTI-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.37
Rot. Bonds6

About 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide

6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133465543) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133465543
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C19H22ClN5O/c1-2-7-21-19(26)15-3-6-18(23-12-15)25-10-8-24(9-11-25)14-17-5-4-16(20)13-22-17/h2-6,12-13H,1,7-11,14H2,(H,21,26)
InChIKeyZKJSFPAAFYEZTI-UHFFFAOYSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.37
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

6-[4-(4-carbamoylphenyl)piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133307551
6-(3-hydroxy-4-methylpiperidin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133446605
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]benzoic acid
CID 122028627
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
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
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 133479539
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133336874
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 37406824

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide (CID 133465543) is 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCN(Cc3ccc(Cl)cn3)CC2)nc1.
What is the InChIKey of 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is ZKJSFPAAFYEZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-2-7-21-19(26)15-3-6-18(23-12-15)25-10-8-24(9-11-25)14-17-5-4-16(20)13-22-17/h2-6,12-13H,1,7-11,14H2,(H,21,26).
What are the key properties of 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide?
6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133465543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).