N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide

C17H21N3O2 — CID 45243997

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C17H21N3O2/c1-13(22-15-9-5-4-6-10-15)17(21)19-12-14-8-7-11-18-16(14)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,21)
InChIKeyVSNBWNAZSDAEEP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.23
Rot. Bonds6

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide (PubChem CID 45243997) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
PubChem CID45243997
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C17H21N3O2/c1-13(22-15-9-5-4-6-10-15)17(21)19-12-14-8-7-11-18-16(14)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,21)
InChIKeyVSNBWNAZSDAEEP-UHFFFAOYSA-N
XLogP2.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-ethoxypropanamide
CID 94775944
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 46431766
2-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylacetamide
CID 119850323
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
(2S)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-phenoxypropanamide
CID 99882923
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide (CID 45243997) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCc1cccnc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide?
The InChIKey is VSNBWNAZSDAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(22-15-9-5-4-6-10-15)17(21)19-12-14-8-7-11-18-16(14)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide is sourced from PubChem (CID 45243997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).