(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C13H19N3O2 — CID 106837602

IUPAC(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-3-6-16(7-4-10)13(18)11-2-5-15-12(14)8-11/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyNCSDFLVDYQSAAE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds2

About (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106837602) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106837602
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-3-6-16(7-4-10)13(18)11-2-5-15-12(14)8-11/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,14,15)
InChIKeyNCSDFLVDYQSAAE-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835796
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(4-fluoro-3-sulfanylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107037232
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
[3-(chloromethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835706

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106837602) is (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is NCSDFLVDYQSAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)10-3-6-16(7-4-10)13(18)11-2-5-15-12(14)8-11/h2,5,8-10,17H,3-4,6-7H2,1H3,(H2,14,15).
What are the key properties of (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106837602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).