5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

C21H25ClN4O2 — CID 86890152

IUPAC5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-15-18(8-9-19(23-15)21(28)24(2)3)20(27)26-12-10-25(11-13-26)14-16-4-6-17(22)7-5-16/h4-9H,10-14H2,1-3H3
InChIKeyPIFQUGZWWCZENL-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.70
Rot. Bonds4

About 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide

5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (PubChem CID 86890152) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
PubChem CID86890152
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-15-18(8-9-19(23-15)21(28)24(2)3)20(27)26-12-10-25(11-13-26)14-16-4-6-17(22)7-5-16/h4-9H,10-14H2,1-3H3
InChIKeyPIFQUGZWWCZENL-UHFFFAOYSA-N
XLogP2.70
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 19325526
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
CID 136545594
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 39586467
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 43453206

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide (CID 86890152) is 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
The InChIKey is PIFQUGZWWCZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-15-18(8-9-19(23-15)21(28)24(2)3)20(27)26-12-10-25(11-13-26)14-16-4-6-17(22)7-5-16/h4-9H,10-14H2,1-3H3.
What are the key properties of 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide?
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 86890152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).