(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

C14H21N3O — CID 115498253

IUPAC(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(NC(C)C)n2)C1
InChIInChI=1S/C14H21N3O/c1-10(2)15-13-6-4-5-12(16-13)14(18)17-8-7-11(3)9-17/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyYYTKYKGWTPVMAL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds3

About (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone

(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 115498253) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID115498253
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(NC(C)C)n2)C1
InChIInChI=1S/C14H21N3O/c1-10(2)15-13-6-4-5-12(16-13)14(18)17-8-7-11(3)9-17/h4-6,10-11H,7-9H2,1-3H3,(H,15,16)
InChIKeyYYTKYKGWTPVMAL-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
(6-hydrazinyl-2-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102971064
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone (CID 115498253) is (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(NC(C)C)n2)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is YYTKYKGWTPVMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)15-13-6-4-5-12(16-13)14(18)17-8-7-11(3)9-17/h4-6,10-11H,7-9H2,1-3H3,(H,15,16).
What are the key properties of (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 115498253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).