4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C16H19N3O — CID 25337085

IUPAC4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12(15-6-4-5-11-17-15)18-16(20)13-7-9-14(10-8-13)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyACQLOGBQWFHPSR-GFCCVEGCSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds4

About 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide

4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 25337085) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID25337085
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-12(15-6-4-5-11-17-15)18-16(20)13-7-9-14(10-8-13)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyACQLOGBQWFHPSR-GFCCVEGCSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
N-[(1S)-1-pyridin-2-ylethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 170903439
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-[(2-cyanoacetyl)amino]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41024194

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 25337085) is 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccn1.
What is the InChIKey of 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is ACQLOGBQWFHPSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(15-6-4-5-11-17-15)18-16(20)13-7-9-14(10-8-13)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 25337085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).