2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide

C21H22N6O — CID 46901384

IUPAC2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25)
InChIKeyMTXHXAFTVABHOY-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide

2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 46901384) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID46901384
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25)
InChIKeyMTXHXAFTVABHOY-UHFFFAOYSA-N
XLogP2.40
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide (CID 46901384) is 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide is NC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is MTXHXAFTVABHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h1-7,12-14,23H,8-11H2,(H2,22,28)(H,24,25).
What are the key properties of 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide?
2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-pyridinyl)-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46901384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).