(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

C12H17N3O — CID 102568289

IUPAC(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cncc(N)c1
InChIInChI=1S/C12H17N3O/c1-9-4-2-3-5-15(9)12(16)10-6-11(13)8-14-7-10/h6-9H,2-5,13H2,1H3
InChIKeyQJEIZNNRWKLAKQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.68
Rot. Bonds1

About (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone

(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 102568289) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID102568289
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cncc(N)c1
InChIInChI=1S/C12H17N3O/c1-9-4-2-3-5-15(9)12(16)10-6-11(13)8-14-7-10/h6-9H,2-5,13H2,1H3
InChIKeyQJEIZNNRWKLAKQ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 24885402
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 58211278
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone (CID 102568289) is (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cncc(N)c1.
What is the InChIKey of (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is QJEIZNNRWKLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-4-2-3-5-15(9)12(16)10-6-11(13)8-14-7-10/h6-9H,2-5,13H2,1H3.
What are the key properties of (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone?
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).