[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C21H27N3O — CID 109205094

IUPAC[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H27N3O/c1-3-23(16-18-7-5-4-6-8-18)19-9-12-22-20(15-19)21(25)24-13-10-17(2)11-14-24/h4-9,12,15,17H,3,10-11,13-14,16H2,1-2H3
InChIKeyAAOLYEAAZSKEGH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.98
Rot. Bonds5

About [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205094) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205094
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C21H27N3O/c1-3-23(16-18-7-5-4-6-8-18)19-9-12-22-20(15-19)21(25)24-13-10-17(2)11-14-24/h4-9,12,15,17H,3,10-11,13-14,16H2,1-2H3
InChIKeyAAOLYEAAZSKEGH-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
(4-benzylpiperidin-1-yl)-[4-(N-methylanilino)-2-pyridinyl]methanone
CID 109217921
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205094) is [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CCN(Cc1ccccc1)c1ccnc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is AAOLYEAAZSKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-23(16-18-7-5-4-6-8-18)19-9-12-22-20(15-19)21(25)24-13-10-17(2)11-14-24/h4-9,12,15,17H,3,10-11,13-14,16H2,1-2H3.
What are the key properties of [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 337.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).