N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

C20H25N5O2 — CID 109106704

IUPACN,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-3-23(4-2)19(26)16-13-17(15-21-14-16)20(27)25-11-9-24(10-12-25)18-7-5-6-8-22-18/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyWHMTYQTZWXWVLV-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.92
Rot. Bonds5

About N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109106704) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109106704
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-3-23(4-2)19(26)16-13-17(15-21-14-16)20(27)25-11-9-24(10-12-25)18-7-5-6-8-22-18/h5-8,13-15H,3-4,9-12H2,1-2H3
InChIKeyWHMTYQTZWXWVLV-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238611
ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671
N,N-diethyl-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103773
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109106704) is N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is WHMTYQTZWXWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-23(4-2)19(26)16-13-17(15-21-14-16)20(27)25-11-9-24(10-12-25)18-7-5-6-8-22-18/h5-8,13-15H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109106704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).