N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide

C12H18FN3O — CID 62735284

IUPACN-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1ncccc1F
InChIInChI=1S/C12H18FN3O/c1-3-9(2)16-11(17)6-8-15-12-10(13)5-4-7-14-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCDBATSGDRULQPE-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.94
Rot. Bonds6

About N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide

N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide (PubChem CID 62735284) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
PubChem CID62735284
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1ncccc1F
InChIInChI=1S/C12H18FN3O/c1-3-9(2)16-11(17)6-8-15-12-10(13)5-4-7-14-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCDBATSGDRULQPE-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62734354
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
N-butan-2-yl-3-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 55152673
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
CID 62734562
N-butan-2-yl-3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 61022469
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide (CID 62735284) is N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide is CCC(C)NC(=O)CCNc1ncccc1F.
What is the InChIKey of N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
The InChIKey is CDBATSGDRULQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-9(2)16-11(17)6-8-15-12-10(13)5-4-7-14-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide?
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide has a molecular weight of 239.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 62735284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).