(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone

C24H32N4O — CID 109196383

IUPAC(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(c2ccc(Nc3ccc(C(=O)N4CCCC(C)C4)nc3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-18-11-14-27(15-12-18)22-8-5-20(6-9-22)26-21-7-10-23(25-16-21)24(29)28-13-3-4-19(2)17-28/h5-10,16,18-19,26H,3-4,11-15,17H2,1-2H3
InChIKeyPGECYFVOTWAJED-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.93
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone

(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone (PubChem CID 109196383) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
PubChem CID109196383
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
SMILESCC1CCN(c2ccc(Nc3ccc(C(=O)N4CCCC(C)C4)nc3)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-18-11-14-27(15-12-18)22-8-5-20(6-9-22)26-21-7-10-23(25-16-21)24(29)28-13-3-4-19(2)17-28/h5-10,16,18-19,26H,3-4,11-15,17H2,1-2H3
InChIKeyPGECYFVOTWAJED-UHFFFAOYSA-N
XLogP4.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186812

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone (CID 109196383) is (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone is CC1CCN(c2ccc(Nc3ccc(C(=O)N4CCCC(C)C4)nc3)cc2)CC1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
The InChIKey is PGECYFVOTWAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-18-11-14-27(15-12-18)22-8-5-20(6-9-22)26-21-7-10-23(25-16-21)24(29)28-13-3-4-19(2)17-28/h5-10,16,18-19,26H,3-4,11-15,17H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone has a molecular weight of 392.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone is sourced from PubChem (CID 109196383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).