[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone

C13H19N3O — CID 62172868

IUPAC[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCCCC2C)ccn1
InChIInChI=1S/C13H19N3O/c1-10-5-3-4-8-16(10)13(17)11-6-7-15-12(9-11)14-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyDVZAPYCIUNPMMM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds2

About [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone

[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 62172868) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID62172868
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCCCC2C)ccn1
InChIInChI=1S/C13H19N3O/c1-10-5-3-4-8-16(10)13(17)11-6-7-15-12(9-11)14-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyDVZAPYCIUNPMMM-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydrazinyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 62235741
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023
[2-(methylamino)-4-pyridinyl]-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 92584927

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone (CID 62172868) is [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone is CNc1cc(C(=O)N2CCCCC2C)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is DVZAPYCIUNPMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-3-4-8-16(10)13(17)11-6-7-15-12(9-11)14-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone?
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62172868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).