N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

C21H26N4O4 — CID 109096865

IUPACN-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)n2)CC1
InChIInChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)18-7-5-6-17(22-18)20(26)23-16-9-8-15(28-2)14-19(16)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26)
InChIKeyDRAOVNRSNOVIID-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.13
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109096865) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109096865
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)n2)CC1
InChIInChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)18-7-5-6-17(22-18)20(26)23-16-9-8-15(28-2)14-19(16)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26)
InChIKeyDRAOVNRSNOVIID-UHFFFAOYSA-N
XLogP2.13
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096866
6-(4-ethylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109096862
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
[2-(2,4-dimethoxyanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254104
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109096865) is N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2cccc(C(=O)Nc3ccc(OC)cc3OC)n2)CC1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is DRAOVNRSNOVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-4-24-10-12-25(13-11-24)21(27)18-7-5-6-17(22-18)20(26)23-16-9-8-15(28-2)14-19(16)29-3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).