(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

C12H17N3O — CID 81236621

IUPAC(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnccc2N)C1
InChIInChI=1S/C12H17N3O/c1-9-3-2-6-15(8-9)12(16)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14)
InChIKeyJYFGEKOWQYRVKT-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds1

About (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 81236621) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID81236621
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnccc2N)C1
InChIInChI=1S/C12H17N3O/c1-9-3-2-6-15(8-9)12(16)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14)
InChIKeyJYFGEKOWQYRVKT-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 115646202
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
(4-amino-3-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 81236152
(4-amino-3-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 81241912
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 114196779
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-amino-3-pyridinyl)methanone
CID 81256985
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(4-amino-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 81242396

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 81236621) is (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnccc2N)C1.
What is the InChIKey of (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JYFGEKOWQYRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-2-6-15(8-9)12(16)10-7-14-5-4-11(10)13/h4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14).
What are the key properties of (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81236621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).