N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide

C12H18FN3O — CID 62734354

IUPACN,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1ncccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)11(17)7-9-15-12-10(13)6-5-8-14-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyMAPTZGCZGQLWEG-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds6

About N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide

N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide (PubChem CID 62734354) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
PubChem CID62734354
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1ncccc1F
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)11(17)7-9-15-12-10(13)6-5-8-14-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeyMAPTZGCZGQLWEG-UHFFFAOYSA-N
XLogP1.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
CID 62732862
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562
2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
N,N-diethyl-3-[(7-hydroxyisoquinolin-1-yl)amino]propanamide
CID 106537734
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide (CID 62734354) is N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide is CCN(CC)C(=O)CCNc1ncccc1F.
What is the InChIKey of N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The InChIKey is MAPTZGCZGQLWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-16(4-2)11(17)7-9-15-12-10(13)6-5-8-14-12/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15).
What are the key properties of N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide has a molecular weight of 239.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 62734354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).