6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide

C19H21ClN4O2 — CID 136545594

IUPAC6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ncc1C(N)=O
InChIInChI=1S/C19H21ClN4O2/c1-13-10-17(22-11-16(13)18(21)25)19(26)24-8-6-23(7-9-24)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H2,21,25)
InChIKeyHJWUBCBYLVHDOZ-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.10
Rot. Bonds4

About 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide

6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide (PubChem CID 136545594) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
PubChem CID136545594
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ncc1C(N)=O
InChIInChI=1S/C19H21ClN4O2/c1-13-10-17(22-11-16(13)18(21)25)19(26)24-8-6-23(7-9-24)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H2,21,25)
InChIKeyHJWUBCBYLVHDOZ-UHFFFAOYSA-N
XLogP2.10
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 19441887
(4-chloro-2-pyridinyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 43019993
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N,N,6-trimethylpyridine-2-carboxamide
CID 86890152
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
4-[(3-carbamoyl-4-chlorophenyl)methyl]piperazine-1-carboxylic acid
CID 154031948

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide (CID 136545594) is 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide is Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ncc1C(N)=O.
What is the InChIKey of 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide?
The InChIKey is HJWUBCBYLVHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-13-10-17(22-11-16(13)18(21)25)19(26)24-8-6-23(7-9-24)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H2,21,25).
What are the key properties of 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide?
6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 136545594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).