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

C20H17BrN4O3 — CID 53166560

IUPACN-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H17BrN4O3/c1-28-16-7-5-14(6-8-16)19(26)25-18-17(22-9-10-23-18)20(27)24-12-13-3-2-4-15(21)11-13/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyDWKVQKAJPKEZIP-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.43
Rot. Bonds6

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

N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 53166560) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID53166560
Molecular FormulaC20H17BrN4O3
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC NameN-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H17BrN4O3/c1-28-16-7-5-14(6-8-16)19(26)25-18-17(22-9-10-23-18)20(27)24-12-13-3-2-4-15(21)11-13/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyDWKVQKAJPKEZIP-UHFFFAOYSA-N
XLogP3.43
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.43
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
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 91498180
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 53166560) is N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is DWKVQKAJPKEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c1-28-16-7-5-14(6-8-16)19(26)25-18-17(22-9-10-23-18)20(27)24-12-13-3-2-4-15(21)11-13/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 441.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 53166560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).