(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone

C13H19N3O — CID 94400305

IUPAC(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)c2cccc(N)n2)[C@@H](C)C1
InChIInChI=1S/C13H19N3O/c1-9-6-7-16(10(2)8-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H2,14,15)/t9-,10-/m0/s1
InChIKeyUSJYKSBVEBTSMP-UWVGGRQHSA-N
MW233.31 g/mol
LogP1.92
Rot. Bonds1

About (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone

(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone (PubChem CID 94400305) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone
PubChem CID94400305
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)c2cccc(N)n2)[C@@H](C)C1
InChIInChI=1S/C13H19N3O/c1-9-6-7-16(10(2)8-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H2,14,15)/t9-,10-/m0/s1
InChIKeyUSJYKSBVEBTSMP-UWVGGRQHSA-N
XLogP1.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-3-chloro-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62329720
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
(6-amino-2-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62238786
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(6-amino-2-pyridinyl)methanone
CID 62240163
(6-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone;hydrochloride
CID 119999048
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-amino-2-pyridinyl)methanone;hydrochloride
CID 119999024
(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone (CID 94400305) is (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone is C[C@H]1CCN(C(=O)c2cccc(N)n2)[C@@H](C)C1.
What is the InChIKey of (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone?
The InChIKey is USJYKSBVEBTSMP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-7-16(10(2)8-9)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3,(H2,14,15)/t9-,10-/m0/s1.
What are the key properties of (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone?
(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone has a molecular weight of 233.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 94400305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).