N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide

C26H29N3O4 — CID 164618121

IUPACN-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(C)N(CC(O)(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C26H29N3O4/c1-18-15-20(16-28(4)24(18)31)25(32)29(19(2)23(30)27-3)17-26(33,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,33H,17H2,1-4H3,(H,27,30)
InChIKeyRJGIXXZQQPSUGA-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.21
Rot. Bonds7

About N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide

N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 164618121) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
PubChem CID164618121
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(C)N(CC(O)(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C26H29N3O4/c1-18-15-20(16-28(4)24(18)31)25(32)29(19(2)23(30)27-3)17-26(33,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,33H,17H2,1-4H3,(H,27,30)
InChIKeyRJGIXXZQQPSUGA-UHFFFAOYSA-N
XLogP2.21
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)butanamide
CID 44622389
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CID 57385744
3-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxy-2-methyl-1,1-diphenylpropan-2-yl)propanamide
CID 57385498
2-(4-Hydroxy-4-phenyl-piperidin-1-yl)-N-isopropyl-acetamide
CID 652677
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2R)-2-hydroxy-2-phenylpropanoyl]amino]-4-methylpentanamide
CID 44300204
N-cyclohexyl-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
CID 3228769
2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-N-prop-2-enylacetamide
CID 4803530
N1-cyclopentyl-N2-(2-hydroxy-2-phenylpropyl)oxalamide
CID 56765392
N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71781811
N1-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 71781851
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71788746
(S)-2-cyclopropyl-1-[N-2-(1-cyclohexen-1-yl)ethylcarbamoylcarbonylamino]-2-phenyl-2-ethanol
CID 95379571

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide (CID 164618121) is N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide is CNC(=O)C(C)N(CC(O)(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is RJGIXXZQQPSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18-15-20(16-28(4)24(18)31)25(32)29(19(2)23(30)27-3)17-26(33,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-16,19,33H,17H2,1-4H3,(H,27,30).
What are the key properties of N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide?
N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-diphenylethyl)-1,5-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).