N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide

C12H16FN3O — CID 64950869

IUPACN-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESNC1CCC(NC(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-11-7-15-6-5-10(11)12(17)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14H2,(H,16,17)
InChIKeyFKTYQZUDONEPSE-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.22
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide

N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64950869) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
PubChem CID64950869
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
SMILESNC1CCC(NC(=O)c2ccncc2F)CC1
InChIInChI=1S/C12H16FN3O/c13-11-7-15-6-5-10(11)12(17)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14H2,(H,16,17)
InChIKeyFKTYQZUDONEPSE-UHFFFAOYSA-N
XLogP1.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
(4-aminocyclohexyl)-(3-fluoro-4-pyridinyl)methanone
CID 116557323
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide (CID 64950869) is N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide is NC1CCC(NC(=O)c2ccncc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is FKTYQZUDONEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-7-15-6-5-10(11)12(17)16-9-3-1-8(14)2-4-9/h5-9H,1-4,14H2,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide?
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).