(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H19N3O2 — CID 61039382

IUPAC(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCCC1CO
InChIInChI=1S/C13H19N3O2/c1-9-12(6-10(14)7-15-9)13(18)16-5-3-2-4-11(16)8-17/h6-7,11,17H,2-5,8,14H2,1H3
InChIKeyCXKFVSCTSARFAR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds2

About (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 61039382) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID61039382
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCCC1CO
InChIInChI=1S/C13H19N3O2/c1-9-12(6-10(14)7-15-9)13(18)16-5-3-2-4-11(16)8-17/h6-7,11,17H,2-5,8,14H2,1H3
InChIKeyCXKFVSCTSARFAR-UHFFFAOYSA-N
XLogP0.96
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 55127274
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962
1-(5-amino-2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 54916812
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
(4-chloro-6-methyl-3-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634475
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
1-(5-amino-2-methylpyridine-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61105363
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 61039382) is (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ncc(N)cc1C(=O)N1CCCCC1CO.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CXKFVSCTSARFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-12(6-10(14)7-15-9)13(18)16-5-3-2-4-11(16)8-17/h6-7,11,17H,2-5,8,14H2,1H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61039382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).