[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C23H31N5O — CID 109175747

IUPAC[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c2)C1
InChIInChI=1S/C23H31N5O/c1-18-4-3-11-28(17-18)23(29)19-9-10-24-22(16-19)25-20-5-7-21(8-6-20)27-14-12-26(2)13-15-27/h5-10,16,18H,3-4,11-15,17H2,1-2H3,(H,24,25)
InChIKeyNUCPVOVLHYIBEQ-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.45
Rot. Bonds4

About [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109175747) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109175747
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c2)C1
InChIInChI=1S/C23H31N5O/c1-18-4-3-11-28(17-18)23(29)19-9-10-24-22(16-19)25-20-5-7-21(8-6-20)27-14-12-26(2)13-15-27/h5-10,16,18H,3-4,11-15,17H2,1-2H3,(H,24,25)
InChIKeyNUCPVOVLHYIBEQ-UHFFFAOYSA-N
XLogP3.45
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-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

(3-methylpiperidin-1-yl)-[2-(4-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175729
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
[2-(3,4-dimethoxyanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175732
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
[2-(2-bromo-4-methylanilino)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175751
2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109175747) is [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)c2)C1.
What is the InChIKey of [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NUCPVOVLHYIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-18-4-3-11-28(17-18)23(29)19-9-10-24-22(16-19)25-20-5-7-21(8-6-20)27-14-12-26(2)13-15-27/h5-10,16,18H,3-4,11-15,17H2,1-2H3,(H,24,25).
What are the key properties of [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 393.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109175747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).