N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide

C24H26N4O4 — CID 3208427

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C24H26N4O4/c1-18-11-12-25-21(14-18)27-22(29)9-10-24(31)28(16-20-8-5-13-32-20)17-23(30)26-15-19-6-3-2-4-7-19/h2-8,11-14H,9-10,15-17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyRITONSGRSUVQHJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.05
Rot. Bonds10

About N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide (PubChem CID 3208427) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide
PubChem CID3208427
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide
SMILESCc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C24H26N4O4/c1-18-11-12-25-21(14-18)27-22(29)9-10-24(31)28(16-20-8-5-13-32-20)17-23(30)26-15-19-6-3-2-4-7-19/h2-8,11-14H,9-10,15-17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyRITONSGRSUVQHJ-UHFFFAOYSA-N
XLogP3.05
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
Triazine-4-carboxamide, 13
CID 44520938
Pyridyl derivative, 15
CID 44520940
6-(furan-2-yl)-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719608
1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
Furan-2-carboxylic acid [6-(2-methoxy-benzoylamino)-pyridin-3-yl]-amide
CID 1449289
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide (CID 3208427) is N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide is Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide?
The InChIKey is RITONSGRSUVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-18-11-12-25-21(14-18)27-22(29)9-10-24(31)28(16-20-8-5-13-32-20)17-23(30)26-15-19-6-3-2-4-7-19/h2-8,11-14H,9-10,15-17H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide has a molecular weight of 434.50 g/mol, XLogP of 3.05, 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'-(furan-2-ylmethyl)-N-(4-methyl-2-pyridinyl)butanediamide is sourced from PubChem (CID 3208427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).