N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide

C20H25N3O2 — CID 78770706

IUPACN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(2)19(22-18(24)12-16-8-5-4-6-9-16)20(25)23(3)14-17-10-7-11-21-13-17/h4-11,13,15,19H,12,14H2,1-3H3,(H,22,24)
InChIKeyPFYQBCOXCMEWSL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.42
Rot. Bonds7

About N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide

N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 78770706) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
PubChem CID78770706
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-15(2)19(22-18(24)12-16-8-5-4-6-9-16)20(25)23(3)14-17-10-7-11-21-13-17/h4-11,13,15,19H,12,14H2,1-3H3,(H,22,24)
InChIKeyPFYQBCOXCMEWSL-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
methyl 3-methyl-2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoate
CID 115188075
(2S)-N-benzyl-3-hydroxy-N-methyl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724745
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
3-chloro-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 62729041
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
tert-butyl N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 55884737
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55942559

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide (CID 78770706) is N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)N(C)Cc1cccnc1.
What is the InChIKey of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is PFYQBCOXCMEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)19(22-18(24)12-16-8-5-4-6-9-16)20(25)23(3)14-17-10-7-11-21-13-17/h4-11,13,15,19H,12,14H2,1-3H3,(H,22,24).
What are the key properties of N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide?
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 339.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 78770706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).