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

C21H27N3O2 — CID 109183358

IUPAC(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-7-5-4-6-18(20)23-17-8-9-19(22-14-17)21(25)24-12-10-16(3)11-13-24/h4-9,14-16,23H,10-13H2,1-3H3
InChIKeyQVMQAJRTRHEGTA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.48
Rot. Bonds5

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

(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone (PubChem CID 109183358) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
PubChem CID109183358
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3ccccc3OC(C)C)cn2)CC1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-20-7-5-4-6-18(20)23-17-8-9-19(22-14-17)21(25)24-12-10-16(3)11-13-24/h4-9,14-16,23H,10-13H2,1-3H3
InChIKeyQVMQAJRTRHEGTA-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409
(4-methylpiperidin-1-yl)-[6-methyl-2-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 109323210
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109198964
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183416
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109183373
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone (CID 109183358) is (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone is CC1CCN(C(=O)c2ccc(Nc3ccccc3OC(C)C)cn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone?
The InChIKey is QVMQAJRTRHEGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-20-7-5-4-6-18(20)23-17-8-9-19(22-14-17)21(25)24-12-10-16(3)11-13-24/h4-9,14-16,23H,10-13H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109183358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).