(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone

C21H27N5O — CID 109154661

IUPAC(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)CC1
InChIInChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)21(27)17-4-9-20(22-16-17)23-18-5-7-19(8-6-18)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,22,23)
InChIKeyUDYDEZNWRLSMRD-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.81
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone (PubChem CID 109154661) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
PubChem CID109154661
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)CC1
InChIInChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)21(27)17-4-9-20(22-16-17)23-18-5-7-19(8-6-18)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,22,23)
InChIKeyUDYDEZNWRLSMRD-UHFFFAOYSA-N
XLogP2.81
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]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

piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
[6-(4-ethylanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159635
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
pyrrolidin-1-yl-[5-(4-pyrrolidin-1-ylanilino)pyrazin-2-yl]methanone
CID 109273648
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone (CID 109154661) is (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone is CN1CCN(C(=O)c2ccc(Nc3ccc(N4CCCC4)cc3)nc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone?
The InChIKey is UDYDEZNWRLSMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-24-12-14-26(15-13-24)21(27)17-4-9-20(22-16-17)23-18-5-7-19(8-6-18)25-10-2-3-11-25/h4-9,16H,2-3,10-15H2,1H3,(H,22,23).
What are the key properties of (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109154661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).