(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone

C20H26N4O2 — CID 109186368

IUPAC(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(2)26-18-7-4-16(5-8-18)22-17-6-9-19(21-14-17)20(25)24-12-10-23(3)11-13-24/h4-9,14-15,22H,10-13H2,1-3H3
InChIKeyCXIOCHQDBXKFPH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.00
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone (PubChem CID 109186368) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
PubChem CID109186368
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
SMILESCC(C)Oc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)nc2)cc1
InChIInChI=1S/C20H26N4O2/c1-15(2)26-18-7-4-16(5-8-18)22-17-6-9-19(21-14-17)20(25)24-12-10-23(3)11-13-24/h4-9,14-15,22H,10-13H2,1-3H3
InChIKeyCXIOCHQDBXKFPH-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[2-(4-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109302309
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187301
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186413
1-(4-methylpiperazin-1-yl)-2-(4-propan-2-yloxyanilino)ethanone
CID 28969825
[6-(4-propan-2-yloxyanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341134
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-propan-2-yloxyanilino)pyrazin-2-yl]methanone
CID 109286005
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone (CID 109186368) is (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone is CC(C)Oc1ccc(Nc2ccc(C(=O)N3CCN(C)CC3)nc2)cc1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The InChIKey is CXIOCHQDBXKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)26-18-7-4-16(5-8-18)22-17-6-9-19(21-14-17)20(25)24-12-10-23(3)11-13-24/h4-9,14-15,22H,10-13H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone has a molecular weight of 354.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109186368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).