N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

C21H22N4O4 — CID 134038858

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)c(C)c1
InChIInChI=1S/C21H22N4O4/c1-14-6-8-17(15(2)11-14)22-12-19(26)23-24-21(28)18-9-7-16(29-18)13-25-10-4-3-5-20(25)27/h3-11,22H,12-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyLIUKQJXZGSSLBX-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.98
Rot. Bonds6

About N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (PubChem CID 134038858) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
PubChem CID134038858
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)c(C)c1
InChIInChI=1S/C21H22N4O4/c1-14-6-8-17(15(2)11-14)22-12-19(26)23-24-21(28)18-9-7-16(29-18)13-25-10-4-3-5-20(25)27/h3-11,22H,12-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyLIUKQJXZGSSLBX-UHFFFAOYSA-N
XLogP1.98
TPSA105.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
5-[(4-bromophenoxy)methyl]-N'-[2-(2,4-dimethylanilino)acetyl]furan-2-carbohydrazide
CID 56504146
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 134024410
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024272
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
5-[(2-oxo-1-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)furan-2-carbohydrazide
CID 36583940
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31518398
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide (CID 134038858) is N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
The InChIKey is LIUKQJXZGSSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-6-8-17(15(2)11-14)22-12-19(26)23-24-21(28)18-9-7-16(29-18)13-25-10-4-3-5-20(25)27/h3-11,22H,12-13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 134038858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).