(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone

C14H21N3O2 — CID 91778798

IUPAC(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCC(CCCO)C2)n1
InChIInChI=1S/C14H21N3O2/c15-13-7-1-6-12(16-13)14(19)17-8-2-4-11(10-17)5-3-9-18/h1,6-7,11,18H,2-5,8-10H2,(H2,15,16)
InChIKeyCXQJGMJKABRZKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds4

About (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone

(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 91778798) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID91778798
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCC(CCCO)C2)n1
InChIInChI=1S/C14H21N3O2/c15-13-7-1-6-12(16-13)14(19)17-8-2-4-11(10-17)5-3-9-18/h1,6-7,11,18H,2-5,8-10H2,(H2,15,16)
InChIKeyCXQJGMJKABRZKY-UHFFFAOYSA-N
XLogP1.29
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2-adamantyl)-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 54591824
N-cyclopropyl-N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67464734
N-cyclopropyl-N-(4-hydroxy-4-methylcyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67467847
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67468176
1-(6-Carbamoylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 145867408
(6-Amino-2-pyridinyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 55052527
N-methyl-6-[2-(3-methylpiperidin-1-yl)ethylamino]pyridine-2-carboxamide
CID 71862484
6-[(3S*,4S*)-3,4-dihydroxy-4-methylpiperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 72838894
3-{1-[(6-aminopyridin-2-yl)carbonyl]piperidin-4-yl}-N-benzyl-N-methylpropanamide
CID 72839211
6-{[(8-Syn)-8-methoxy-3-azabicyclo[3.2.1]oct-3-yl]carbonyl}pyridin-2-amine
CID 77083011
6-amino-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]pyridine-2-carboxamide
CID 90653966
6-Amino-N-[2-(2-oxopiperidin-1-YL)ethyl]pyridine-2-carboxamide
CID 91789503

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone (CID 91778798) is (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone is Nc1cccc(C(=O)N2CCCC(CCCO)C2)n1.
What is the InChIKey of (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is CXQJGMJKABRZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-7-1-6-12(16-13)14(19)17-8-2-4-11(10-17)5-3-9-18/h1,6-7,11,18H,2-5,8-10H2,(H2,15,16).
What are the key properties of (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
(6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[3-(3-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91778798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).