4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

C19H18FN7O4 — CID 68684583

IUPAC4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C19H18FN7O4/c20-13-3-1-2-4-14(13)23-18-25-24-17(31-18)16(28)22-12-5-6-15(21-11-12)26-7-9-27(10-8-26)19(29)30/h1-6,11H,7-10H2,(H,22,28)(H,23,25)(H,29,30)
InChIKeyIXGLPPXHJRLKNJ-UHFFFAOYSA-N
MW427.40 g/mol
LogP2.40
Rot. Bonds5

About 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 68684583) has the molecular formula C19H18FN7O4 and a molecular weight of 427.40 g/mol. Its IUPAC name is 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID68684583
Molecular FormulaC19H18FN7O4
Molecular Weight427.40 g/mol
Exact Mass427.14
IUPAC Name4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1nnc(Nc2ccccc2F)o1
InChIInChI=1S/C19H18FN7O4/c20-13-3-1-2-4-14(13)23-18-25-24-17(31-18)16(28)22-12-5-6-15(21-11-12)26-7-9-27(10-8-26)19(29)30/h1-6,11H,7-10H2,(H,22,28)(H,23,25)(H,29,30)
InChIKeyIXGLPPXHJRLKNJ-UHFFFAOYSA-N
XLogP2.40
TPSA136.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
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
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-(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
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
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid (CID 68684583) is 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is O=C(Nc1ccc(N2CCN(C(=O)O)CC2)nc1)c1nnc(Nc2ccccc2F)o1.
What is the InChIKey of 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is IXGLPPXHJRLKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O4/c20-13-3-1-2-4-14(13)23-18-25-24-17(31-18)16(28)22-12-5-6-15(21-11-12)26-7-9-27(10-8-26)19(29)30/h1-6,11H,7-10H2,(H,22,28)(H,23,25)(H,29,30).
What are the key properties of 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 427.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 68684583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).