N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide

C21H26N4O2 — CID 109106558

IUPACN,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-23(4-2)20(26)17-14-18(16-22-15-17)21(27)25-12-10-24(11-13-25)19-8-6-5-7-9-19/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyFMGQFAQDCPHHBZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.53
Rot. Bonds5

About N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide

N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109106558) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109106558
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-3-23(4-2)20(26)17-14-18(16-22-15-17)21(27)25-12-10-24(11-13-25)19-8-6-5-7-9-19/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyFMGQFAQDCPHHBZ-UHFFFAOYSA-N
XLogP2.53
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
N,N-diethyl-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103773
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739
ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
CID 109231167
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109106558) is N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is FMGQFAQDCPHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-23(4-2)20(26)17-14-18(16-22-15-17)21(27)25-12-10-24(11-13-25)19-8-6-5-7-9-19/h5-9,14-16H,3-4,10-13H2,1-2H3.
What are the key properties of N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109106558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).