N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide

C17H19N5O — CID 91838383

IUPACN-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C#N)cc1)Cc1cnccn1
InChIInChI=1S/C17H19N5O/c1-22(13-16-12-19-8-9-20-16)10-2-3-17(23)21-15-6-4-14(11-18)5-7-15/h4-9,12H,2-3,10,13H2,1H3,(H,21,23)
InChIKeyVQOHMJYYFDIGRR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.20
Rot. Bonds7

About N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide

N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide (PubChem CID 91838383) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
PubChem CID91838383
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide
SMILESCN(CCCC(=O)Nc1ccc(C#N)cc1)Cc1cnccn1
InChIInChI=1S/C17H19N5O/c1-22(13-16-12-19-8-9-20-16)10-2-3-17(23)21-15-6-4-14(11-18)5-7-15/h4-9,12H,2-3,10,13H2,1H3,(H,21,23)
InChIKeyVQOHMJYYFDIGRR-UHFFFAOYSA-N
XLogP2.20
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
N,N'-bis(4-cyanophenyl)pentanediamide
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N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
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N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
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N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
N-(4-cyanophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023461
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide (CID 91838383) is N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide is CN(CCCC(=O)Nc1ccc(C#N)cc1)Cc1cnccn1.
What is the InChIKey of N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide?
The InChIKey is VQOHMJYYFDIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22(13-16-12-19-8-9-20-16)10-2-3-17(23)21-15-6-4-14(11-18)5-7-15/h4-9,12H,2-3,10,13H2,1H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide?
N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide has a molecular weight of 309.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[methyl(pyrazin-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 91838383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).