4-amino-N-cinnolin-6-yl-2-phenylbutanamide

C18H18N4O — CID 67950451

IUPAC4-amino-N-cinnolin-6-yl-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1ccc2nnccc2c1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-10-8-16(13-4-2-1-3-5-13)18(23)21-15-6-7-17-14(12-15)9-11-20-22-17/h1-7,9,11-12,16H,8,10,19H2,(H,21,23)
InChIKeyMBECNSORLXPKOD-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.70
Rot. Bonds5

About 4-amino-N-cinnolin-6-yl-2-phenylbutanamide

4-amino-N-cinnolin-6-yl-2-phenylbutanamide (PubChem CID 67950451) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-amino-N-cinnolin-6-yl-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-cinnolin-6-yl-2-phenylbutanamide
PubChem CID67950451
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-amino-N-cinnolin-6-yl-2-phenylbutanamide
SMILESNCCC(C(=O)Nc1ccc2nnccc2c1)c1ccccc1
InChIInChI=1S/C18H18N4O/c19-10-8-16(13-4-2-1-3-5-13)18(23)21-15-6-7-17-14(12-15)9-11-20-22-17/h1-7,9,11-12,16H,8,10,19H2,(H,21,23)
InChIKeyMBECNSORLXPKOD-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
CID 59563818
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
4-amino-N-[4-amino-3-[(4-methoxyphenyl)methyl]phenyl]-2-phenylbutanamide
CID 142270741
3-amino-N-(1,3-benzothiazol-6-yl)-2-phenylpropanamide
CID 103809401
4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
CID 10171713
3-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-phenylpropanamide
CID 62878158
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
[3-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl] benzoate
CID 59563763
3-amino-N-isoquinolin-6-yl-2-phenylpropanamide;N-isoquinolin-6-yl-2-phenyl-3-(propan-2-ylamino)propanamide;propan-2-one
CID 157431706
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cinnolin-6-yl-2-phenylbutanamide?
The IUPAC name of 4-amino-N-cinnolin-6-yl-2-phenylbutanamide (CID 67950451) is 4-amino-N-cinnolin-6-yl-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-cinnolin-6-yl-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-cinnolin-6-yl-2-phenylbutanamide is NCCC(C(=O)Nc1ccc2nnccc2c1)c1ccccc1.
What is the InChIKey of 4-amino-N-cinnolin-6-yl-2-phenylbutanamide?
The InChIKey is MBECNSORLXPKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-10-8-16(13-4-2-1-3-5-13)18(23)21-15-6-7-17-14(12-15)9-11-20-22-17/h1-7,9,11-12,16H,8,10,19H2,(H,21,23).
What are the key properties of 4-amino-N-cinnolin-6-yl-2-phenylbutanamide?
4-amino-N-cinnolin-6-yl-2-phenylbutanamide has a molecular weight of 306.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cinnolin-6-yl-2-phenylbutanamide is sourced from PubChem (CID 67950451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).