4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide

C19H25N3O — CID 95195499

IUPAC4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)18-11-9-16(10-12-18)19(23)21(4)15(3)17-8-7-13-20-14-17/h7-15H,5-6H2,1-4H3/t15-/m1/s1
InChIKeyWMJZXFYKMSJWJN-OAHLLOKOSA-N
MW311.43 g/mol
LogP3.76
Rot. Bonds6

About 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide

4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide (PubChem CID 95195499) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
PubChem CID95195499
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-5-22(6-2)18-11-9-16(10-12-18)19(23)21(4)15(3)17-8-7-13-20-14-17/h7-15H,5-6H2,1-4H3/t15-/m1/s1
InChIKeyWMJZXFYKMSJWJN-OAHLLOKOSA-N
XLogP3.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 60597744
4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 56702604
4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95191352
N-[4-(diethylamino)phenyl]-3-pyridin-3-ylbutanamide
CID 110650746
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
(E)-4-(dimethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)but-2-enamide
CID 146076991
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95553441

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide (CID 95195499) is 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide is CCN(CC)c1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1.
What is the InChIKey of 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is WMJZXFYKMSJWJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-5-22(6-2)18-11-9-16(10-12-18)19(23)21(4)15(3)17-8-7-13-20-14-17/h7-15H,5-6H2,1-4H3/t15-/m1/s1.
What are the key properties of 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide?
4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 95195499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).