3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide

C21H22N4O3 — CID 47067149

IUPAC3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2nccnc2N)ccc1OCc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-14(25-21(26)19-20(22)24-11-10-23-19)16-8-9-17(18(12-16)27-2)28-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H2,22,24)(H,25,26)
InChIKeyVXXBWRRVBLSVQP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.14
Rot. Bonds7

About 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide

3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 47067149) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID47067149
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2nccnc2N)ccc1OCc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-14(25-21(26)19-20(22)24-11-10-23-19)16-8-9-17(18(12-16)27-2)28-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H2,22,24)(H,25,26)
InChIKeyVXXBWRRVBLSVQP-UHFFFAOYSA-N
XLogP3.14
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-methoxy-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]propanamide;hydrochloride
CID 120986679
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47063290
2-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119721271
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55807945
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705
4-bromo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55932540
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 47067149) is 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cc(C(C)NC(=O)c2nccnc2N)ccc1OCc1ccccc1.
What is the InChIKey of 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is VXXBWRRVBLSVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(25-21(26)19-20(22)24-11-10-23-19)16-8-9-17(18(12-16)27-2)28-13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H2,22,24)(H,25,26).
What are the key properties of 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47067149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).