4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide

C21H25ClN4O — CID 143696048

IUPAC4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-3-10-26(21(27)18-5-7-19(22)8-6-18)16-17-4-9-20(23-15-17)25-13-11-24(2)12-14-25/h3-9,15H,1,10-14,16H2,2H3
InChIKeyFPSRNUAWAVEVRK-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.32
Rot. Bonds6

About 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide

4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide (PubChem CID 143696048) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
PubChem CID143696048
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN4O/c1-3-10-26(21(27)18-5-7-19(22)8-6-18)16-17-4-9-20(23-15-17)25-13-11-24(2)12-14-25/h3-9,15H,1,10-14,16H2,2H3
InChIKeyFPSRNUAWAVEVRK-UHFFFAOYSA-N
XLogP3.32
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-dimethyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 143695850
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]imidazole-4-carboxamide
CID 90693440
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111875213
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572
1-(5-chloro-2-pyridinyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 56511645
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide (CID 143696048) is 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1ccc(N2CCN(C)CC2)nc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide?
The InChIKey is FPSRNUAWAVEVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-3-10-26(21(27)18-5-7-19(22)8-6-18)16-17-4-9-20(23-15-17)25-13-11-24(2)12-14-25/h3-9,15H,1,10-14,16H2,2H3.
What are the key properties of 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide?
4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide has a molecular weight of 384.91 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 143696048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).