3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

C13H20N4O — CID 119841583

IUPAC3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C13H20N4O/c14-5-3-13(18)16-10-11-4-6-15-12(9-11)17-7-1-2-8-17/h4,6,9H,1-3,5,7-8,10,14H2,(H,16,18)
InChIKeyGNUWXZQRFPCMKJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.65
Rot. Bonds5

About 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 119841583) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID119841583
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
SMILESNCCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C13H20N4O/c14-5-3-13(18)16-10-11-4-6-15-12(9-11)17-7-1-2-8-17/h4,6,9H,1-3,5,7-8,10,14H2,(H,16,18)
InChIKeyGNUWXZQRFPCMKJ-UHFFFAOYSA-N
XLogP0.65
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
3-amino-3-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119952941
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 75370015
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-ethyl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 83273482

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide (CID 119841583) is 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is NCCC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is GNUWXZQRFPCMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-5-3-13(18)16-10-11-4-6-15-12(9-11)17-7-1-2-8-17/h4,6,9H,1-3,5,7-8,10,14H2,(H,16,18).
What are the key properties of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide?
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 119841583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).