N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide

C14H14F2N4O — CID 107375724

IUPACN-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-2-17-13-8-18-12(7-19-13)14(21)20-6-9-5-10(15)3-4-11(9)16/h3-5,7-8H,2,6H2,1H3,(H,17,19)(H,20,21)
InChIKeyHCPGVKYYKMAGPM-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.12
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide

N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 107375724) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID107375724
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-2-17-13-8-18-12(7-19-13)14(21)20-6-9-5-10(15)3-4-11(9)16/h3-5,7-8H,2,6H2,1H3,(H,17,19)(H,20,21)
InChIKeyHCPGVKYYKMAGPM-UHFFFAOYSA-N
XLogP2.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281291
5-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377154
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-(2-cyano-4-fluorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107376511
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
5-(ethylamino)-N-[(2-fluorophenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107375107
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487
5-(3,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282276
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide (CID 107375724) is N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCc2cc(F)ccc2F)cn1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is HCPGVKYYKMAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-2-17-13-8-18-12(7-19-13)14(21)20-6-9-5-10(15)3-4-11(9)16/h3-5,7-8H,2,6H2,1H3,(H,17,19)(H,20,21).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).