1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

C16H25N3O2 — CID 86286733

IUPAC1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCC(C(C)(C)O)C1)Cc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-16(2,21)14-6-9-19(11-14)15(20)12-18(3)10-13-4-7-17-8-5-13/h4-5,7-8,14,21H,6,9-12H2,1-3H3
InChIKeySDZNBVRSDXUAOW-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.13
Rot. Bonds5

About 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (PubChem CID 86286733) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
PubChem CID86286733
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCC(C(C)(C)O)C1)Cc1ccncc1
InChIInChI=1S/C16H25N3O2/c1-16(2,21)14-6-9-19(11-14)15(20)12-18(3)10-13-4-7-17-8-5-13/h4-5,7-8,14,21H,6,9-12H2,1-3H3
InChIKeySDZNBVRSDXUAOW-UHFFFAOYSA-N
XLogP1.13
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone with MolForge

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Related Compounds

1-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99929054
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 137340836
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138386665
(3R,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidine-3-carboxylic acid
CID 155919575
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 164691194
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
1-[(3S,3aS,6aR)-3-(dimethylamino)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 154820103
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 95891885
tert-butyl (3S)-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167671
1-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 146043897
tert-butyl (3S)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647440

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The IUPAC name of 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone (CID 86286733) is 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is CN(CC(=O)N1CCC(C(C)(C)O)C1)Cc1ccncc1.
What is the InChIKey of 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
The InChIKey is SDZNBVRSDXUAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,21)14-6-9-19(11-14)15(20)12-18(3)10-13-4-7-17-8-5-13/h4-5,7-8,14,21H,6,9-12H2,1-3H3.
What are the key properties of 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone?
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone is sourced from PubChem (CID 86286733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).