N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

C18H23N3O2 — CID 97313597

IUPACN-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H23N3O2/c1-20(2)13-16(11-14-7-5-4-6-8-14)19-18(23)15-9-10-21(3)17(22)12-15/h4-10,12,16H,11,13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyZPPYEBUHIDXFEH-INIZCTEOSA-N
MW313.40 g/mol
LogP1.29
Rot. Bonds6

About N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide

N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 97313597) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID97313597
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H23N3O2/c1-20(2)13-16(11-14-7-5-4-6-8-14)19-18(23)15-9-10-21(3)17(22)12-15/h4-10,12,16H,11,13H2,1-3H3,(H,19,23)/t16-/m0/s1
InChIKeyZPPYEBUHIDXFEH-INIZCTEOSA-N
XLogP1.29
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313866
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
CID 95301985
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
(3S)-N-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95291646
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55952896
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
(3S)-3-(2-chlorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 94022754

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide (CID 97313597) is N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is ZPPYEBUHIDXFEH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(2)13-16(11-14-7-5-4-6-8-14)19-18(23)15-9-10-21(3)17(22)12-15/h4-10,12,16H,11,13H2,1-3H3,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 97313597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).