2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide

C17H28N4O2 — CID 124756503

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCCN(Cc1cccnc1)C(=O)CN1CC[C@H](N(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-19(2)16-6-8-20(13-16)14-17(22)21(9-10-23-3)12-15-5-4-7-18-11-15/h4-5,7,11,16H,6,8-10,12-14H2,1-3H3/t16-/m0/s1
InChIKeySTVBNLBIOHUUFC-INIZCTEOSA-N
MW320.44 g/mol
LogP0.69
Rot. Bonds8

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 124756503) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID124756503
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCCN(Cc1cccnc1)C(=O)CN1CC[C@H](N(C)C)C1
InChIInChI=1S/C17H28N4O2/c1-19(2)16-6-8-20(13-16)14-17(22)21(9-10-23-3)12-15-5-4-7-18-11-15/h4-5,7,11,16H,6,8-10,12-14H2,1-3H3/t16-/m0/s1
InChIKeySTVBNLBIOHUUFC-INIZCTEOSA-N
XLogP0.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 125180022
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 42512485
(2R)-N-(2-methoxyethyl)-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 124505741
(3R)-N-(2-methoxyethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95551862
N-(2-methoxyethyl)-4-[(3S)-piperidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 97200779
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 124756503) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide is COCCN(Cc1cccnc1)C(=O)CN1CC[C@H](N(C)C)C1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is STVBNLBIOHUUFC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19(2)16-6-8-20(13-16)14-17(22)21(9-10-23-3)12-15-5-4-7-18-11-15/h4-5,7,11,16H,6,8-10,12-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 124756503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).