(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C14H21N3O2 — CID 107403445

IUPAC(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H21N3O2/c1-10-12(8-11(15)9-16-10)13(18)17-6-3-4-14(2,19)5-7-17/h8-9,19H,3-7,15H2,1-2H3
InChIKeyRQJYRLQRGUYBFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds1

About (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107403445) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107403445
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C14H21N3O2/c1-10-12(8-11(15)9-16-10)13(18)17-6-3-4-14(2,19)5-7-17/h8-9,19H,3-7,15H2,1-2H3
InChIKeyRQJYRLQRGUYBFV-UHFFFAOYSA-N
XLogP1.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-1H-pyrazol-4-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107405918
1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106837
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
(5-amino-2-methyl-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504927
(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 54917350
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 107406591
(5-amino-2-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835086
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 107405954
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107403445) is (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is Cc1ncc(N)cc1C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is RQJYRLQRGUYBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-12(8-11(15)9-16-10)13(18)17-6-3-4-14(2,19)5-7-17/h8-9,19H,3-7,15H2,1-2H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.35, 1 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)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107403445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).