[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone

C18H22N4O2 — CID 124613022

IUPAC[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
SMILESCNC[C@@H]1CCN(C(=O)c2ncccc2OCc2ccncc2)C1
InChIInChI=1S/C18H22N4O2/c1-19-11-15-6-10-22(12-15)18(23)17-16(3-2-7-21-17)24-13-14-4-8-20-9-5-14/h2-5,7-9,15,19H,6,10-13H2,1H3/t15-/m0/s1
InChIKeyIOVRBPGJIZFRKY-HNNXBMFYSA-N
MW326.40 g/mol
LogP1.74
Rot. Bonds6

About [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone

[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone (PubChem CID 124613022) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
PubChem CID124613022
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
SMILESCNC[C@@H]1CCN(C(=O)c2ncccc2OCc2ccncc2)C1
InChIInChI=1S/C18H22N4O2/c1-19-11-15-6-10-22(12-15)18(23)17-16(3-2-7-21-17)24-13-14-4-8-20-9-5-14/h2-5,7-9,15,19H,6,10-13H2,1H3/t15-/m0/s1
InChIKeyIOVRBPGJIZFRKY-HNNXBMFYSA-N
XLogP1.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 126790879
1,4-diazepan-1-yl-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 122147492
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 125146059
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(trifluoromethylsulfanyl)-3-pyridinyl]methanone
CID 119541317
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458
[2-(2-ethoxyphenoxy)phenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613165
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 71863399
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 119538911
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The IUPAC name of [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone (CID 124613022) is [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone is CNC[C@@H]1CCN(C(=O)c2ncccc2OCc2ccncc2)C1.
What is the InChIKey of [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
The InChIKey is IOVRBPGJIZFRKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-11-15-6-10-22(12-15)18(23)17-16(3-2-7-21-17)24-13-14-4-8-20-9-5-14/h2-5,7-9,15,19H,6,10-13H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone?
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone has a molecular weight of 326.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 124613022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).