[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C16H21N5O — CID 124967467

IUPAC[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-17-15-10-12(5-7-18-15)13-4-3-9-21(11-13)16(22)14-6-8-19-20(14)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyITHMDLUNEZRUJC-ZDUSSCGKSA-N
MW299.38 g/mol
LogP1.88
Rot. Bonds3

About [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 124967467) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID124967467
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-17-15-10-12(5-7-18-15)13-4-3-9-21(11-13)16(22)14-6-8-19-20(14)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyITHMDLUNEZRUJC-ZDUSSCGKSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
1,3-benzodioxol-5-yl-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124997041
(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
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
[(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
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
(2-methylpyrazol-3-yl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
CID 110196493
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 124967467) is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CNc1cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)ccn1.
What is the InChIKey of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ITHMDLUNEZRUJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-15-10-12(5-7-18-15)13-4-3-9-21(11-13)16(22)14-6-8-19-20(14)2/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 124967467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).