N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide

C18H21N3O4 — CID 94025634

IUPACN-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnccn2)ccc1OC[C@@H]1CCCO1
InChIInChI=1S/C18H21N3O4/c1-23-17-9-13(10-21-18(22)15-11-19-6-7-20-15)4-5-16(17)25-12-14-3-2-8-24-14/h4-7,9,11,14H,2-3,8,10,12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyQOMDBVJFWYWNNI-AWEZNQCLSA-N
MW343.38 g/mol
LogP1.97
Rot. Bonds7

About N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide

N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 94025634) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID94025634
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cnccn2)ccc1OC[C@@H]1CCCO1
InChIInChI=1S/C18H21N3O4/c1-23-17-9-13(10-21-18(22)15-11-19-6-7-20-15)4-5-16(17)25-12-14-3-2-8-24-14/h4-7,9,11,14H,2-3,8,10,12H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyQOMDBVJFWYWNNI-AWEZNQCLSA-N
XLogP1.97
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185142
1-tert-butyl-5-cyclopropyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 55840672
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrazine-2-carboxamide
CID 56809138
5-chloro-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51958616
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide (CID 94025634) is N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide is COc1cc(CNC(=O)c2cnccn2)ccc1OC[C@@H]1CCCO1.
What is the InChIKey of N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is QOMDBVJFWYWNNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-23-17-9-13(10-21-18(22)15-11-19-6-7-20-15)4-5-16(17)25-12-14-3-2-8-24-14/h4-7,9,11,14H,2-3,8,10,12H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide?
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 94025634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).