N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide

C26H36N4O4 — CID 46084367

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)CCC(C)C)CC2)cc1OC
InChIInChI=1S/C26H36N4O4/c1-19(2)7-10-24(31)29-14-16-30(17-15-29)25-21(6-5-12-27-25)26(32)28-13-11-20-8-9-22(33-3)23(18-20)34-4/h5-6,8-9,12,18-19H,7,10-11,13-17H2,1-4H3,(H,28,32)
InChIKeyFATTWHAGWCORJL-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.16
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 46084367) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID46084367
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)CCC(C)C)CC2)cc1OC
InChIInChI=1S/C26H36N4O4/c1-19(2)7-10-24(31)29-14-16-30(17-15-29)25-21(6-5-12-27-25)26(32)28-13-11-20-8-9-22(33-3)23(18-20)34-4/h5-6,8-9,12,18-19H,7,10-11,13-17H2,1-4H3,(H,28,32)
InChIKeyFATTWHAGWCORJL-UHFFFAOYSA-N
XLogP3.16
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 46084255
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084256
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084251
2-[4-(2-tert-butyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084305
2-[4-[(6-chloro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084570
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109027810
N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-8-carboxamide
CID 17401154
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108506303
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylbutylamino)pyridine-4-carboxamide
CID 109173781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 46084367) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)CCC(C)C)CC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is FATTWHAGWCORJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-19(2)7-10-24(31)29-14-16-30(17-15-29)25-21(6-5-12-27-25)26(32)28-13-11-20-8-9-22(33-3)23(18-20)34-4/h5-6,8-9,12,18-19H,7,10-11,13-17H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46084367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).