N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide

C12H16FN3O2 — CID 104639313

IUPACN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C12H16FN3O2/c1-2-18-10-5-8(14)11(10)16-12(17)9-4-3-7(13)6-15-9/h3-4,6,8,10-11H,2,5,14H2,1H3,(H,16,17)
InChIKeySSVXATCXBSLWHW-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.46
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide

N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide (PubChem CID 104639313) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide
PubChem CID104639313
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide
SMILESCCOC1CC(N)C1NC(=O)c1ccc(F)cn1
InChIInChI=1S/C12H16FN3O2/c1-2-18-10-5-8(14)11(10)16-12(17)9-4-3-7(13)6-15-9/h3-4,6,8,10-11H,2,5,14H2,1H3,(H,16,17)
InChIKeySSVXATCXBSLWHW-UHFFFAOYSA-N
XLogP0.46
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-5-fluoro-2-methylbenzamide
CID 66196265
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-4-ethoxybenzamide
CID 66195694
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-methoxybenzamide
CID 102884059
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)-5-methylthiophene-2-carboxamide
CID 66195121
N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
CID 66195481
N-(2-amino-4-ethoxycyclobutyl)naphthalene-1-carboxamide
CID 66194914
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide (CID 104639313) is N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide is CCOC1CC(N)C1NC(=O)c1ccc(F)cn1.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is SSVXATCXBSLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-18-10-5-8(14)11(10)16-12(17)9-4-3-7(13)6-15-9/h3-4,6,8,10-11H,2,5,14H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide?
N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 104639313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).