4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide

C21H29N3O — CID 3114

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IUPAC4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide
SMILESCC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
InChIInChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
InChIKeyUVTNFZQICZKOEM-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.36
Rot. Bonds8

About 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide

4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide (PubChem CID 3114) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide
PubChem CID3114
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide
SMILESCC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
InChIInChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)
InChIKeyUVTNFZQICZKOEM-UHFFFAOYSA-N
XLogP3.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
Disopyramide Phosphate
CID 30928
(+-)-Cotinine
CID 408
Mono-N-dealkyldisopyramide
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Vamicamide
CID 65967
alpha-(2-(Bis(1-methylethyl)amino)ethyl)-alpha-(2-methylpropyl)-2-pyridineacetamide
CID 65847
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
C3A receptor agonist
CID 44430519
Disopyramide, (R)-
CID 156294
2-(4-(2-Methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide
CID 57519544
R-(+)-Cotinine
CID 21907
2-Ethylisonicotinamide
CID 76905

Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide?
The IUPAC name of 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide (CID 3114) is 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide?
The canonical SMILES for 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide is CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide?
The InChIKey is UVTNFZQICZKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25).
What are the key properties of 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide?
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide has a molecular weight of 339.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 3114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).