4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide

C19H21ClN4O2 — CID 136514396

IUPAC4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-2-22-19(26)24-9-7-23(8-10-24)18(25)16-11-15(12-21-13-16)14-3-5-17(20)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,22,26)
InChIKeyNNGKHQIIJZARDT-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.89
Rot. Bonds3

About 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide

4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 136514396) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
PubChem CID136514396
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c1-2-22-19(26)24-9-7-23(8-10-24)18(25)16-11-15(12-21-13-16)14-3-5-17(20)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,22,26)
InChIKeyNNGKHQIIJZARDT-UHFFFAOYSA-N
XLogP2.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
4-(2,6-dichloropyridine-4-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 60716823
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
4-(3-chloro-4-iodobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103734756
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
4-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 78819339
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide (CID 136514396) is 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is NNGKHQIIJZARDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-2-22-19(26)24-9-7-23(8-10-24)18(25)16-11-15(12-21-13-16)14-3-5-17(20)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,22,26).
What are the key properties of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide?
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 136514396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).