N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide

C23H24N4O4 — CID 652502

IUPACN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C23H24N4O4/c1-17-6-4-7-18(14-17)27(16-22(29)25-15-19-8-5-13-31-19)23(30)11-10-21(28)26-20-9-2-3-12-24-20/h2-9,12-14H,10-11,15-16H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyKAEZCGXMSYBKLY-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.05
Rot. Bonds9

About N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 652502) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID652502
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1
InChIInChI=1S/C23H24N4O4/c1-17-6-4-7-18(14-17)27(16-22(29)25-15-19-8-5-13-31-19)23(30)11-10-21(28)26-20-9-2-3-12-24-20/h2-9,12-14H,10-11,15-16H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyKAEZCGXMSYBKLY-UHFFFAOYSA-N
XLogP3.05
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
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
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
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
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-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide (CID 652502) is N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide is Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1.
What is the InChIKey of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is KAEZCGXMSYBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-17-6-4-7-18(14-17)27(16-22(29)25-15-19-8-5-13-31-19)23(30)11-10-21(28)26-20-9-2-3-12-24-20/h2-9,12-14H,10-11,15-16H2,1H3,(H,25,29)(H,24,26,28).
What are the key properties of N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 420.47 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 652502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).