3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide

C14H15FN4O2 — CID 16597367

IUPAC3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1F
InChIInChI=1S/C14H15FN4O2/c1-19(14(20)12-13(16)18-6-5-17-12)8-9-3-4-11(21-2)10(15)7-9/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeySYNJQWBDMBRNBB-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide

3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 16597367) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID16597367
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nccnc2N)cc1F
InChIInChI=1S/C14H15FN4O2/c1-19(14(20)12-13(16)18-6-5-17-12)8-9-3-4-11(21-2)10(15)7-9/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeySYNJQWBDMBRNBB-UHFFFAOYSA-N
XLogP1.48
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796966
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46577740
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide (CID 16597367) is 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide is COc1ccc(CN(C)C(=O)c2nccnc2N)cc1F.
What is the InChIKey of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is SYNJQWBDMBRNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-19(14(20)12-13(16)18-6-5-17-12)8-9-3-4-11(21-2)10(15)7-9/h3-7H,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide?
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 16597367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).