[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

C18H21N3O2 — CID 120807953

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H21N3O2/c1-18(12-19)7-10-21(13-18)17(22)14-3-2-4-16(11-14)23-15-5-8-20-9-6-15/h2-6,8-9,11H,7,10,12-13,19H2,1H3
InChIKeyWLMQSDPAJBWHMZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.68
Rot. Bonds4

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (PubChem CID 120807953) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
PubChem CID120807953
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2cccc(Oc3ccncc3)c2)C1
InChIInChI=1S/C18H21N3O2/c1-18(12-19)7-10-21(13-18)17(22)14-3-2-4-16(11-14)23-15-5-8-20-9-6-15/h2-6,8-9,11H,7,10,12-13,19H2,1H3
InChIKeyWLMQSDPAJBWHMZ-UHFFFAOYSA-N
XLogP2.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 120806066
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 120808403
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 120809661
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 120809441
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 120804177
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120804520
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione
CID 120807163
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (CID 120807953) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is CC1(CN)CCN(C(=O)c2cccc(Oc3ccncc3)c2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The InChIKey is WLMQSDPAJBWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(12-19)7-10-21(13-18)17(22)14-3-2-4-16(11-14)23-15-5-8-20-9-6-15/h2-6,8-9,11H,7,10,12-13,19H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is sourced from PubChem (CID 120807953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).