N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide

C13H18FN3O — CID 112582965

IUPACN-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
SMILESCCC(NCC(=O)NC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H18FN3O/c1-2-11(12-6-3-9(14)7-15-12)16-8-13(18)17-10-4-5-10/h3,6-7,10-11,16H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyDGFIUNKBHSZHGQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.54
Rot. Bonds6

About N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide

N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide (PubChem CID 112582965) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
PubChem CID112582965
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
SMILESCCC(NCC(=O)NC1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H18FN3O/c1-2-11(12-6-3-9(14)7-15-12)16-8-13(18)17-10-4-5-10/h3,6-7,10-11,16H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyDGFIUNKBHSZHGQ-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 115938586
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115938758
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 112583036

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide (CID 112582965) is N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide is CCC(NCC(=O)NC1CC1)c1ccc(F)cn1.
What is the InChIKey of N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The InChIKey is DGFIUNKBHSZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-11(12-6-3-9(14)7-15-12)16-8-13(18)17-10-4-5-10/h3,6-7,10-11,16H,2,4-5,8H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide is sourced from PubChem (CID 112582965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).