N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

C20H16F2N4O3 — CID 53166521

IUPACN-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C20H16F2N4O3/c1-29-15-5-2-12(3-6-15)19(27)26-18-17(23-8-9-24-18)20(28)25-11-13-10-14(21)4-7-16(13)22/h2-10H,11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyHEXYPQSNUKUNRX-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.95
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 53166521) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID53166521
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C20H16F2N4O3/c1-29-15-5-2-12(3-6-15)19(27)26-18-17(23-8-9-24-18)20(28)25-11-13-10-14(21)4-7-16(13)22/h2-10H,11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyHEXYPQSNUKUNRX-UHFFFAOYSA-N
XLogP2.95
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166536
N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166560
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
N-[(2,5-difluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 55225527
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55996525
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 118769430
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
N-[2-[(2,5-difluorophenyl)methyl]-3-hydroxypropyl]-4-methoxybenzamide
CID 75374492

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 53166521) is N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is HEXYPQSNUKUNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-29-15-5-2-12(3-6-15)19(27)26-18-17(23-8-9-24-18)20(28)25-11-13-10-14(21)4-7-16(13)22/h2-10H,11H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 398.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 53166521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).