N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide

C22H28N4O2 — CID 109084517

IUPACN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)N(CC)c3cccc(C)c3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-4-24-11-13-25(14-12-24)21(27)18-9-10-23-20(16-18)22(28)26(5-2)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyJCEANCOAIPPRLI-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.83
Rot. Bonds5

About N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide

N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109084517) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109084517
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)N(CC)c3cccc(C)c3)c2)CC1
InChIInChI=1S/C22H28N4O2/c1-4-24-11-13-25(14-12-24)21(27)18-9-10-23-20(16-18)22(28)26(5-2)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3
InChIKeyJCEANCOAIPPRLI-UHFFFAOYSA-N
XLogP2.83
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083104
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
2-N-ethyl-2-N-(3-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090530
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109084517) is N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2ccnc(C(=O)N(CC)c3cccc(C)c3)c2)CC1.
What is the InChIKey of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is JCEANCOAIPPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-24-11-13-25(14-12-24)21(27)18-9-10-23-20(16-18)22(28)26(5-2)19-8-6-7-17(3)15-19/h6-10,15-16H,4-5,11-14H2,1-3H3.
What are the key properties of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide?
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).