(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C22H21ClN4O — CID 109216106

IUPAC(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Nc2ccccc2)ccn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H21ClN4O/c23-17-5-4-8-20(15-17)26-11-13-27(14-12-26)22(28)21-16-19(9-10-24-21)25-18-6-2-1-3-7-18/h1-10,15-16H,11-14H2,(H,24,25)
InChIKeyNANMHHGLNMMMTE-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.44
Rot. Bonds4

About (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 109216106) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID109216106
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Nc2ccccc2)ccn1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H21ClN4O/c23-17-5-4-8-20(15-17)26-11-13-27(14-12-26)22(28)21-16-19(9-10-24-21)25-18-6-2-1-3-7-18/h1-10,15-16H,11-14H2,(H,24,25)
InChIKeyNANMHHGLNMMMTE-UHFFFAOYSA-N
XLogP4.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
4-[[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-pyridinyl]amino]benzonitrile
CID 109216036
2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215207
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 109216106) is (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1cc(Nc2ccccc2)ccn1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is NANMHHGLNMMMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-5-4-8-20(15-17)26-11-13-27(14-12-26)22(28)21-16-19(9-10-24-21)25-18-6-2-1-3-7-18/h1-10,15-16H,11-14H2,(H,24,25).
What are the key properties of (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 392.89 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).