3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide

C12H19N3O2 — CID 114938790

IUPAC3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(OC)nc1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-10(7-11(13)16)9-4-5-12(17-2)15-8-9/h4-5,8,10,14H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyTVICRVBENMRAKO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds7

About 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide

3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide (PubChem CID 114938790) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
PubChem CID114938790
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(OC)nc1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-10(7-11(13)16)9-4-5-12(17-2)15-8-9/h4-5,8,10,14H,3,6-7H2,1-2H3,(H2,13,16)
InChIKeyTVICRVBENMRAKO-UHFFFAOYSA-N
XLogP1.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-3-pyridinyl)-2-(propylamino)ethanol
CID 114938137
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-phenyl-3-(propylamino)propanamide
CID 65235689
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
3-(4-tert-butylphenyl)-3-(propylamino)propanamide
CID 65236000
3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanamide
CID 104823942
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide (CID 114938790) is 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccc(OC)nc1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide?
The InChIKey is TVICRVBENMRAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-14-10(7-11(13)16)9-4-5-12(17-2)15-8-9/h4-5,8,10,14H,3,6-7H2,1-2H3,(H2,13,16).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide?
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide has a molecular weight of 237.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide is sourced from PubChem (CID 114938790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).