3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

C13H20N4O2 — CID 106111464

IUPAC3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCOC(CN)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C13H20N4O2/c1-19-11(9-14)13(18)16-10-5-4-6-15-12(10)17-7-2-3-8-17/h4-6,11H,2-3,7-9,14H2,1H3,(H,16,18)
InChIKeyWSHMLNWDJBONFU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.59
Rot. Bonds5

About 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide

3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (PubChem CID 106111464) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
PubChem CID106111464
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
SMILESCOC(CN)C(=O)Nc1cccnc1N1CCCC1
InChIInChI=1S/C13H20N4O2/c1-19-11(9-14)13(18)16-10-5-4-6-15-12(10)17-7-2-3-8-17/h4-6,11H,2-3,7-9,14H2,1H3,(H,16,18)
InChIKeyWSHMLNWDJBONFU-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
2-methylsulfanyl-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 47354331
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
(2S)-N-(2-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94798718
3-amino-2-methyl-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 120502859
1-(2,2-diphenylethyl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 112829342
2-amino-N-(2-morpholin-4-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 119845832

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide (CID 106111464) is 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is COC(CN)C(=O)Nc1cccnc1N1CCCC1.
What is the InChIKey of 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
The InChIKey is WSHMLNWDJBONFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-11(9-14)13(18)16-10-5-4-6-15-12(10)17-7-2-3-8-17/h4-6,11H,2-3,7-9,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide?
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 106111464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).