N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide

C25H21F2N5O4 — CID 167405162

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccccc2C(=O)N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C25H21F2N5O4/c1-35-19-10-6-16(7-11-19)12-29-21-5-3-2-4-20(21)25(34)32(15-33)14-18-9-8-17(13-28-18)23-30-31-24(36-23)22(26)27/h2-11,13,15,22,29H,12,14H2,1H3
InChIKeyWDEVHRGDTDOXSZ-UHFFFAOYSA-N
MW493.47 g/mol
LogP4.49
Rot. Bonds10

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide (PubChem CID 167405162) has the molecular formula C25H21F2N5O4 and a molecular weight of 493.47 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide
PubChem CID167405162
Molecular FormulaC25H21F2N5O4
Molecular Weight493.47 g/mol
Exact Mass493.16
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccccc2C(=O)N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)cc1
InChIInChI=1S/C25H21F2N5O4/c1-35-19-10-6-16(7-11-19)12-29-21-5-3-2-4-20(21)25(34)32(15-33)14-18-9-8-17(13-28-18)23-30-31-24(36-23)22(26)27/h2-11,13,15,22,29H,12,14H2,1H3
InChIKeyWDEVHRGDTDOXSZ-UHFFFAOYSA-N
XLogP4.49
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 25161979
N-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-6-(4-methoxy-phenyl)-nicotinamide
CID 44388303
6-Methoxy-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}pyridine-3-carboxamide
CID 91892690
7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155550171
7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155553534
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-3-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884951
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-4-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884952
6-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 155529673
2-(Difluoromethyl)-5-[6-[(4-phenylphenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290330
6-(4-methoxyphenyl)-N-methyl-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 148471279
6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)quinolin-4-amine
CID 151150040

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide (CID 167405162) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide is COc1ccc(CNc2ccccc2C(=O)N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)cc1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide?
The InChIKey is WDEVHRGDTDOXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O4/c1-35-19-10-6-16(7-11-19)12-29-21-5-3-2-4-20(21)25(34)32(15-33)14-18-9-8-17(13-28-18)23-30-31-24(36-23)22(26)27/h2-11,13,15,22,29H,12,14H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide has a molecular weight of 493.47 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-formyl-2-[(4-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 167405162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).