5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide

C15H17FN4O — CID 107375107

IUPAC5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)N(C)Cc2ccccc2F)cn1
InChIInChI=1S/C15H17FN4O/c1-3-17-14-9-18-13(8-19-14)15(21)20(2)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyDTWOUEOBLMFURW-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.32
Rot. Bonds5

About 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide

5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 107375107) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID107375107
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)N(C)Cc2ccccc2F)cn1
InChIInChI=1S/C15H17FN4O/c1-3-17-14-9-18-13(8-19-14)15(21)20(2)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyDTWOUEOBLMFURW-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377812
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
CID 107375724
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
N-[(2-fluorophenyl)methyl]-N-methylquinoline-2-carboxamide
CID 9409269
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045
5-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]pyrazine-2-carboxylic acid
CID 122048084
5-(ethylamino)-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 107375022
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide (CID 107375107) is 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide is CCNc1cnc(C(=O)N(C)Cc2ccccc2F)cn1.
What is the InChIKey of 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is DTWOUEOBLMFURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-17-14-9-18-13(8-19-14)15(21)20(2)10-11-6-4-5-7-12(11)16/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide?
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 107375107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).