ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C20H35N3O — CID 178152263

IUPACethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC.CC.CC1CC(N(C)c2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-12-10-13(11-12)18(2)15-7-5-6-14(17-15)16(20)19-8-3-4-9-19;2*1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;2*1-2H3
InChIKeyKSSODTTWRAUKFB-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.60
Rot. Bonds3

About ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone

ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 178152263) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID178152263
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Nameethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC.CC.CC1CC(N(C)c2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C16H23N3O.2C2H6/c1-12-10-13(11-12)18(2)15-7-5-6-14(17-15)16(20)19-8-3-4-9-19;2*1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;2*1-2H3
InChIKeyKSSODTTWRAUKFB-UHFFFAOYSA-N
XLogP4.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(4-ethylcyclohexyl)-methylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347728
6-[methyl-(3-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 55053323
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347694
[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95774764
[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348587
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348708
(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573681
ethane;6-propan-2-ylpyridine-2-carboxylic acid;(6-propan-2-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 178152440
azepan-1-yl-[2-(N-methylanilino)pyrimidin-4-yl]methanone
CID 109313290

Frequently Asked Questions

What is the IUPAC name of ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 178152263) is ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CC.CC.CC1CC(N(C)c2cccc(C(=O)N3CCCC3)n2)C1.
What is the InChIKey of ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KSSODTTWRAUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2C2H6/c1-12-10-13(11-12)18(2)15-7-5-6-14(17-15)16(20)19-8-3-4-9-19;2*1-2/h5-7,12-13H,3-4,8-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.52 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[6-[methyl-(3-methylcyclobutyl)amino]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 178152263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).