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

C19H19FN8O3 — CID 59464141

IUPACN-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cn2)CC1
InChIInChI=1S/C19H19FN8O3/c20-13-3-1-2-4-14(13)24-19-26-25-17(31-19)16(29)23-12-5-6-15(22-11-12)27-7-9-28(10-8-27)18(21)30/h1-6,11H,7-10H2,(H2,21,30)(H,23,29)(H,24,26)
InChIKeyXONZDEDPLBKNCW-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.80
Rot. Bonds5

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

N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 59464141) has the molecular formula C19H19FN8O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
PubChem CID59464141
Molecular FormulaC19H19FN8O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC NameN-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
SMILESNC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cn2)CC1
InChIInChI=1S/C19H19FN8O3/c20-13-3-1-2-4-14(13)24-19-26-25-17(31-19)16(29)23-12-5-6-15(22-11-12)27-7-9-28(10-8-27)18(21)30/h1-6,11H,7-10H2,(H2,21,30)(H,23,29)(H,24,26)
InChIKeyXONZDEDPLBKNCW-UHFFFAOYSA-N
XLogP1.80
TPSA142.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-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
5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464215
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 68682761
N-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464283
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
CID 68779663
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-[[(2E)-4-fluoroocta-2,7-dien-3-yl]amino]-1,3,4-oxadiazole-2-carboxamide
CID 143243235
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
2-[4-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]sulfanylacetic acid
CID 68686576
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 N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide (CID 59464141) is N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is NC(=O)N1CCN(c2ccc(NC(=O)c3nnc(Nc4ccccc4F)o3)cn2)CC1.
What is the InChIKey of N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XONZDEDPLBKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8O3/c20-13-3-1-2-4-14(13)24-19-26-25-17(31-19)16(29)23-12-5-6-15(22-11-12)27-7-9-28(10-8-27)18(21)30/h1-6,11H,7-10H2,(H2,21,30)(H,23,29)(H,24,26).
What are the key properties of N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide?
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 59464141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).