1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone

C19H21ClN4O2 — CID 109231029

IUPAC1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncc(NCc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(25)23-6-8-24(9-7-23)19(26)16-10-18(13-21-12-16)22-11-15-2-4-17(20)5-3-15/h2-5,10,12-13,22H,6-9,11H2,1H3
InChIKeyVWEODKZZHWVCKV-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.65
Rot. Bonds4

About 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109231029) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID109231029
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncc(NCc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-14(25)23-6-8-24(9-7-23)19(26)16-10-18(13-21-12-16)22-11-15-2-4-17(20)5-3-15/h2-5,10,12-13,22H,6-9,11H2,1H3
InChIKeyVWEODKZZHWVCKV-UHFFFAOYSA-N
XLogP2.65
TPSA65.54 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
5-[(4-chlorophenyl)methylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109234109
[5-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230127

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 109231029) is 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cncc(NCc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is VWEODKZZHWVCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-14(25)23-6-8-24(9-7-23)19(26)16-10-18(13-21-12-16)22-11-15-2-4-17(20)5-3-15/h2-5,10,12-13,22H,6-9,11H2,1H3.
What are the key properties of 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 372.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109231029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).