N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide

C23H28N4O4 — CID 3204821

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccccc1
InChIInChI=1S/C23H28N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-19-9-6-14-31-19)17-22(29)25-15-18-7-2-1-3-8-18/h1-5,7-8,10,13,19H,6,9,11-12,14-17H2,(H,25,29)(H,24,26,28)
InChIKeyDVYSCEDSKIGPOZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.12
Rot. Bonds10

About N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3204821) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
PubChem CID3204821
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccccc1
InChIInChI=1S/C23H28N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-19-9-6-14-31-19)17-22(29)25-15-18-7-2-1-3-8-18/h1-5,7-8,10,13,19H,6,9,11-12,14-17H2,(H,25,29)(H,24,26,28)
InChIKeyDVYSCEDSKIGPOZ-UHFFFAOYSA-N
XLogP2.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide with MolForge

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Related Compounds

(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73443116
Pentanedioic acid cyclohexylcarbamoylmethyl-(tetrahydro-furan-2-ylmethyl)-amide pyridin-2-ylamide
CID 645755
Pentanedioic acid cyclopentylcarbamoylmethyl-(4-fluoro-benzyl)-amide pyridin-2-ylamide
CID 646044
N-(4-Fluoro-benzyl)-N'-(4-methyl-pyridin-2-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 647436
N-(Benzylcarbamoyl-methyl)-N-(2-methoxy-ethyl)-N'-pyridin-2-yl-succinamide
CID 650893
N-Pyridin-2-yl-N'-(tetrahydro-furan-2-ylmethyl)-N'-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 651646
Pentanedioic acid benzyl-cyclopentylcarbamoylmethyl-amide pyridin-2-ylamide
CID 653349
Pentanedioic acid (cyclohexylcarbamoyl-p-tolyl-methyl)-(2-methoxy-ethyl)-amide pyridin-2-ylamide
CID 653797
N-[(3-Methyl-butylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 655765
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N'-pyridin-2-yl-N-(tetrahydro-furan-2-ylmethyl)-succinamide
CID 656162
Pentanedioic acid (cyclohexylcarbamoyl-p-tolyl-methyl)-(tetrahydro-furan-2-ylmethyl)-amide pyridin-2-ylamide
CID 3197281
N-Benzyl-N-(phenethylcarbamoyl-methyl)-N'-pyridin-2-yl-succinamide
CID 3204784

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide (CID 3204821) is N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide is O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccccc1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is DVYSCEDSKIGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-21(26-20-10-4-5-13-24-20)11-12-23(30)27(16-19-9-6-14-31-19)17-22(29)25-15-18-7-2-1-3-8-18/h1-5,7-8,10,13,19H,6,9,11-12,14-17H2,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 424.50 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).