N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C22H20N4O2 — CID 90513967

IUPACN-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H20N4O2/c27-21(18-15-25(16-18)22(28)20-13-23-11-12-24-20)26(19-9-5-2-6-10-19)14-17-7-3-1-4-8-17/h1-13,18H,14-16H2
InChIKeyYTTXFIIUZJCAHV-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.78
Rot. Bonds5

About N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90513967) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID90513967
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESO=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H20N4O2/c27-21(18-15-25(16-18)22(28)20-13-23-11-12-24-20)26(19-9-5-2-6-10-19)14-17-7-3-1-4-8-17/h1-13,18H,14-16H2
InChIKeyYTTXFIIUZJCAHV-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785669
N-benzyl-N-phenyl-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081326
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrazin-2-ylmethanone
CID 98793047
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 90513967) is N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is O=C(c1cnccn1)N1CC(C(=O)N(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is YTTXFIIUZJCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21(18-15-25(16-18)22(28)20-13-23-11-12-24-20)26(19-9-5-2-6-10-19)14-17-7-3-1-4-8-17/h1-13,18H,14-16H2.
What are the key properties of N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).