N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide

C15H16N4O4 — CID 56809138

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnccn2)ccc1OCC(N)=O
InChIInChI=1S/C15H16N4O4/c1-22-13-6-10(2-3-12(13)23-9-14(16)20)7-19-15(21)11-8-17-4-5-18-11/h2-6,8H,7,9H2,1H3,(H2,16,20)(H,19,21)
InChIKeyTYRSMWXEJMMLFC-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.28
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide (PubChem CID 56809138) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
PubChem CID56809138
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnccn2)ccc1OCC(N)=O
InChIInChI=1S/C15H16N4O4/c1-22-13-6-10(2-3-12(13)23-9-14(16)20)7-19-15(21)11-8-17-4-5-18-11/h2-6,8H,7,9H2,1H3,(H2,16,20)(H,19,21)
InChIKeyTYRSMWXEJMMLFC-UHFFFAOYSA-N
XLogP0.28
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
N-[(3,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 24746893
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567119
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]ethyl]pyrazine-2-carboxamide
CID 108542841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide (CID 56809138) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide is COc1cc(CNC(=O)c2cnccn2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is TYRSMWXEJMMLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-22-13-6-10(2-3-12(13)23-9-14(16)20)7-19-15(21)11-8-17-4-5-18-11/h2-6,8H,7,9H2,1H3,(H2,16,20)(H,19,21).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56809138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).