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

C10H12FN3O — CID 64951103

IUPACN-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
SMILESNC1CC(NC(=O)c2ccncc2F)C1
InChIInChI=1S/C10H12FN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15)
InChIKeyPKVOSGMFSFRJKJ-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.44
Rot. Bonds2

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

N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64951103) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
PubChem CID64951103
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC NameN-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
SMILESNC1CC(NC(=O)c2ccncc2F)C1
InChIInChI=1S/C10H12FN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15)
InChIKeyPKVOSGMFSFRJKJ-UHFFFAOYSA-N
XLogP0.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-(3-aminocyclobutyl)-3-hydroxypyridine-4-carboxamide
CID 81442624
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide (CID 64951103) is N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide is NC1CC(NC(=O)c2ccncc2F)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is PKVOSGMFSFRJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-5-13-2-1-8(9)10(15)14-7-3-6(12)4-7/h1-2,5-7H,3-4,12H2,(H,14,15).
What are the key properties of N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide?
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64951103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).