N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

C19H22N4O4 — CID 109168975

IUPACN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)c(OC)c1
InChIInChI=1S/C19H22N4O4/c1-26-15-3-4-16(17(12-15)27-2)21-19(25)14-5-6-20-18(11-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyBBXQFGAERDRQFB-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109168975) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109168975
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)c(OC)c1
InChIInChI=1S/C19H22N4O4/c1-26-15-3-4-16(17(12-15)27-2)21-19(25)14-5-6-20-18(11-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyBBXQFGAERDRQFB-UHFFFAOYSA-N
XLogP1.63
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109176550
4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
N-(2,4-dimethoxyphenyl)-2-methoxypyridine-4-carboxamide
CID 84580517
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178358
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168959
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
CID 108523927
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (CID 109168975) is N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(N3CCN(C=O)CC3)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is BBXQFGAERDRQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-26-15-3-4-16(17(12-15)27-2)21-19(25)14-5-6-20-18(11-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.63, 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)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109168975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).