5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

C20H20FN7O4 — CID 59464215

IUPAC5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)CO)CC2)nc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C20H20FN7O4/c21-14-3-1-2-4-15(14)24-20-26-25-19(32-20)18(31)23-13-5-6-16(22-11-13)27-7-9-28(10-8-27)17(30)12-29/h1-6,11,29H,7-10,12H2,(H,23,31)(H,24,26)
InChIKeyWNVOLKSZZNMPFH-UHFFFAOYSA-N
MW441.42 g/mol
LogP1.24
Rot. Bonds6

About 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide

5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 59464215) has the molecular formula C20H20FN7O4 and a molecular weight of 441.42 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID59464215
Molecular FormulaC20H20FN7O4
Molecular Weight441.42 g/mol
Exact Mass441.16
IUPAC Name5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)CO)CC2)nc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C20H20FN7O4/c21-14-3-1-2-4-15(14)24-20-26-25-19(32-20)18(31)23-13-5-6-16(22-11-13)27-7-9-28(10-8-27)17(30)12-29/h1-6,11,29H,7-10,12H2,(H,23,31)(H,24,26)
InChIKeyWNVOLKSZZNMPFH-UHFFFAOYSA-N
XLogP1.24
TPSA136.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

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Related Compounds

4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68682761
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464283
2-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]sulfanylacetic acid
CID 68686576
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
5-(2-fluoroanilino)-N-[4-[4-(2-hydroxyethyl)cyclohexyl]phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464071
N-(2,6-difluorophenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxamide
CID 69454094
N-[4-(4-acetylpiperazin-1-yl)phenyl]-5-(2,4,5-trifluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68682202

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide (CID 59464215) is 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)CO)CC2)nc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WNVOLKSZZNMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O4/c21-14-3-1-2-4-15(14)24-20-26-25-19(32-20)18(31)23-13-5-6-16(22-11-13)27-7-9-28(10-8-27)17(30)12-29/h1-6,11,29H,7-10,12H2,(H,23,31)(H,24,26).
What are the key properties of 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 441.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 59464215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).