(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone

C12H17N3O — CID 62155864

IUPAC(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C12H17N3O/c1-9-3-6-15(7-4-9)12(16)10-2-5-14-11(13)8-10/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14)
InChIKeyXHNJWGPRAXANJM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds1

About (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone

(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 62155864) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID62155864
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N)c2)CC1
InChIInChI=1S/C12H17N3O/c1-9-3-6-15(7-4-9)12(16)10-2-5-14-11(13)8-10/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14)
InChIKeyXHNJWGPRAXANJM-UHFFFAOYSA-N
XLogP1.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-4-pyridinyl)-(4-methylpiperidin-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

(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(2-bromo-4-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 103754999
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756
(2-amino-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081659
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone (CID 62155864) is (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccnc(N)c2)CC1.
What is the InChIKey of (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XHNJWGPRAXANJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-6-15(7-4-9)12(16)10-2-5-14-11(13)8-10/h2,5,8-9H,3-4,6-7H2,1H3,(H2,13,14).
What are the key properties of (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62155864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).