4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide

C18H23N3O — CID 45038869

IUPAC4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
SMILES[2H]C([2H])([2H])C([2H])(NCCC(C(N)=O)(c1ccccc1)c1ccccn1)C([2H])([2H])[2H]
InChIInChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/i1D3,2D3,14D
InChIKeyUWNSWIXIVDMCHZ-HSNISVEUSA-N
MW304.44 g/mol
LogP2.24
Rot. Bonds9

About 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide

4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide (PubChem CID 45038869) has the molecular formula C18H23N3O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
PubChem CID45038869
Molecular FormulaC18H23N3O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
SMILES[2H]C([2H])([2H])C([2H])(NCCC(C(N)=O)(c1ccccc1)c1ccccn1)C([2H])([2H])[2H]
InChIInChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/i1D3,2D3,14D
InChIKeyUWNSWIXIVDMCHZ-HSNISVEUSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide with MolForge

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Related Compounds

4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
2-phenyl-2-pyridin-2-yl-2-sulfanylacetamide
CID 57038231
4-[di(propan-2-yl)amino]-N,N',N'-trimethyl-2-phenyl-2-pyridin-2-ylbutanehydrazide
CID 23277066
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
CID 74221652
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
CID 124644619
4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide
CID 70413984
N,N-dimethyl-4-morpholin-4-ium-4-yl-2-phenyl-2-pyridin-2-ylbutanamide chloride
CID 110173845
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide (CID 45038869) is 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide is [2H]C([2H])([2H])C([2H])(NCCC(C(N)=O)(c1ccccc1)c1ccccn1)C([2H])([2H])[2H].
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide?
The InChIKey is UWNSWIXIVDMCHZ-HSNISVEUSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)/i1D3,2D3,14D.
What are the key properties of 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide?
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide has a molecular weight of 304.44 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 45038869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).