[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone

C21H22N4O — CID 125002735

IUPAC[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ccn1
InChIInChI=1S/C21H22N4O/c1-22-20-13-15(9-11-24-20)16-5-4-12-25(14-16)21(26)18-6-2-8-19-17(18)7-3-10-23-19/h2-3,6-11,13,16H,4-5,12,14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeySMLYSUMAINOQMR-INIZCTEOSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds3

About [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 125002735) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
PubChem CID125002735
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
SMILESCNc1cc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ccn1
InChIInChI=1S/C21H22N4O/c1-22-20-13-15(9-11-24-20)16-5-4-12-25(14-16)21(26)18-6-2-8-19-17(18)7-3-10-23-19/h2-3,6-11,13,16H,4-5,12,14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeySMLYSUMAINOQMR-INIZCTEOSA-N
XLogP3.69
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
3-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124982788
[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110105747
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
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502
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]-quinolin-5-ylmethanone?
The IUPAC name of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone (CID 125002735) is [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone is CNc1cc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)ccn1.
What is the InChIKey of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is SMLYSUMAINOQMR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N4O/c1-22-20-13-15(9-11-24-20)16-5-4-12-25(14-16)21(26)18-6-2-8-19-17(18)7-3-10-23-19/h2-3,6-11,13,16H,4-5,12,14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of [(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone?
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.69, 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]-quinolin-5-ylmethanone is sourced from PubChem (CID 125002735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).