N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

C19H22N4O2 — CID 71785669

IUPACN-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C19H22N4O2/c1-14(7-8-15-5-3-2-4-6-15)22-18(24)16-12-23(13-16)19(25)17-11-20-9-10-21-17/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,22,24)
InChIKeyBBIPVXTWXRQLPU-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.69
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide

N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (PubChem CID 71785669) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
PubChem CID71785669
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CN(C(=O)c2cnccn2)C1
InChIInChI=1S/C19H22N4O2/c1-14(7-8-15-5-3-2-4-6-15)22-18(24)16-12-23(13-16)19(25)17-11-20-9-10-21-17/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,22,24)
InChIKeyBBIPVXTWXRQLPU-UHFFFAOYSA-N
XLogP1.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400
N-(2-methylpropyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513923
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513961
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
1-(pyrazine-2-carbonyl)-N-(pyridin-2-ylmethyl)azetidine-3-carboxamide
CID 90513957
N-benzyl-N-phenyl-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90513967
N-(4-acetamidophenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510936
1-(1,3-benzodioxole-5-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90512780
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
1-[2-(2-fluorophenoxy)acetyl]-N-[(2S)-4-phenylbutan-2-yl]azetidine-3-carboxamide
CID 95367688

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide (CID 71785669) is N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is CC(CCc1ccccc1)NC(=O)C1CN(C(=O)c2cnccn2)C1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is BBIPVXTWXRQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(7-8-15-5-3-2-4-6-15)22-18(24)16-12-23(13-16)19(25)17-11-20-9-10-21-17/h2-6,9-11,14,16H,7-8,12-13H2,1H3,(H,22,24).
What are the key properties of N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide?
N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).