N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide

C12H16FN3O — CID 115737021

IUPACN-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESNC1CCCC1CNC(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-4-9(5-15-7-10)12(17)16-6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2,(H,16,17)
InChIKeyOIFDXEGIWHPHHQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.08
Rot. Bonds3

About N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide

N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 115737021) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
PubChem CID115737021
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
SMILESNC1CCCC1CNC(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-4-9(5-15-7-10)12(17)16-6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2,(H,16,17)
InChIKeyOIFDXEGIWHPHHQ-UHFFFAOYSA-N
XLogP1.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 104786143
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
5-amino-N-[3-[(5-fluoropyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 167801853
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[[2-(bromomethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 102922809
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide (CID 115737021) is N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide is NC1CCCC1CNC(=O)c1cncc(F)c1.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is OIFDXEGIWHPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-4-9(5-15-7-10)12(17)16-6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2,(H,16,17).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide?
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 115737021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).