N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide

C20H26N4O4 — CID 42783474

IUPACN-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)CCNC(=O)c2cnc(C)cn2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-14-12-23-16(13-22-14)20(26)21-9-7-19(25)24(2)10-8-15-5-6-17(27-3)18(11-15)28-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,26)
InChIKeyYXTXADPVHICXJJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.62
Rot. Bonds9

About N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide

N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 42783474) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID42783474
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)CCNC(=O)c2cnc(C)cn2)cc1OC
InChIInChI=1S/C20H26N4O4/c1-14-12-23-16(13-22-14)20(26)21-9-7-19(25)24(2)10-8-15-5-6-17(27-3)18(11-15)28-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,26)
InChIKeyYXTXADPVHICXJJ-UHFFFAOYSA-N
XLogP1.62
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9468439
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685641
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 4129422
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278606
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4-methylbenzamide
CID 59969584
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 4143530
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108891376

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide (CID 42783474) is N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide is COc1ccc(CCN(C)C(=O)CCNC(=O)c2cnc(C)cn2)cc1OC.
What is the InChIKey of N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YXTXADPVHICXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-12-23-16(13-22-14)20(26)21-9-7-19(25)24(2)10-8-15-5-6-17(27-3)18(11-15)28-4/h5-6,11-13H,7-10H2,1-4H3,(H,21,26).
What are the key properties of N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide?
N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-oxopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 42783474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).