[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone

C17H20N4O — CID 125007244

IUPAC[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccncc3)C2)ccn1
InChIInChI=1S/C17H20N4O/c1-18-16-11-14(6-9-20-16)15-3-2-10-21(12-15)17(22)13-4-7-19-8-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUMDNJTPZKMHTLP-HNNXBMFYSA-N
MW296.37 g/mol
LogP2.54
Rot. Bonds3

About [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 125007244) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID125007244
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccncc3)C2)ccn1
InChIInChI=1S/C17H20N4O/c1-18-16-11-14(6-9-20-16)15-3-2-10-21(12-15)17(22)13-4-7-19-8-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyUMDNJTPZKMHTLP-HNNXBMFYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone 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

1,3-benzodioxol-5-yl-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124997041
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110105793
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124982788
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 125007244) is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone is CNc1cc([C@H]2CCCN(C(=O)c3ccncc3)C2)ccn1.
What is the InChIKey of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UMDNJTPZKMHTLP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-18-16-11-14(6-9-20-16)15-3-2-10-21(12-15)17(22)13-4-7-19-8-5-13/h4-9,11,15H,2-3,10,12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 296.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 125007244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).