N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

C20H17FN4O3 — CID 53166536

IUPACN-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H17FN4O3/c1-28-15-8-6-13(7-9-15)19(26)25-18-17(22-10-11-23-18)20(27)24-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyONNFXPVIMKRWKO-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.81
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 53166536) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID53166536
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H17FN4O3/c1-28-15-8-6-13(7-9-15)19(26)25-18-17(22-10-11-23-18)20(27)24-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyONNFXPVIMKRWKO-UHFFFAOYSA-N
XLogP2.81
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166560
methyl 3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxylate
CID 53485391
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 53166536) is N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is ONNFXPVIMKRWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-28-15-8-6-13(7-9-15)19(26)25-18-17(22-10-11-23-18)20(27)24-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 53166536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).