[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H23N5O — CID 109174558

IUPAC[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C22H23N5O/c1-17-6-2-3-7-19(17)25-20-16-18(9-11-23-20)22(28)27-14-12-26(13-15-27)21-8-4-5-10-24-21/h2-11,16H,12-15H2,1H3,(H,23,25)
InChIKeyPTTPFHNQCYQJGH-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.49
Rot. Bonds4

About [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109174558) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109174558
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C22H23N5O/c1-17-6-2-3-7-19(17)25-20-16-18(9-11-23-20)22(28)27-14-12-26(13-15-27)21-8-4-5-10-24-21/h2-11,16H,12-15H2,1H3,(H,23,25)
InChIKeyPTTPFHNQCYQJGH-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
CID 109174472
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652
ethyl 4-[2-(2,3-dimethylanilino)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174269
2-[[2-methyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109373230
(4-methyl-3-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 878223
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109174558) is [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1ccccc1Nc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PTTPFHNQCYQJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-17-6-2-3-7-19(17)25-20-16-18(9-11-23-20)22(28)27-14-12-26(13-15-27)21-8-4-5-10-24-21/h2-11,16H,12-15H2,1H3,(H,23,25).
What are the key properties of [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109174558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).