(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

C12H16N2O — CID 144534976

IUPAC(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C12H16N2O/c1-9-5-6-14(8-9)12(15)11-4-3-10(2)13-7-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVFELPAVDCDJXFK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.87
Rot. Bonds1

About (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone

(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 144534976) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID144534976
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C12H16N2O/c1-9-5-6-14(8-9)12(15)11-4-3-10(2)13-7-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyVFELPAVDCDJXFK-UHFFFAOYSA-N
XLogP1.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 95585981
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
[(5aS,9aR)-1,2,3,4,5,5a,6,8,9,9a-decahydropyrido[4,3-b]azepin-7-yl]-(6-methyl-3-pyridinyl)methanone
CID 110124578
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone (CID 144534976) is (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is Cc1ccc(C(=O)N2CCC(C)C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is VFELPAVDCDJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-6-14(8-9)12(15)11-4-3-10(2)13-7-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone?
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 204.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 144534976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).