2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide

C12H16FN3O — CID 114035108

IUPAC2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
SMILESCCC1(NC(=O)c2cc(F)cnc2N)CCC1
InChIInChI=1S/C12H16FN3O/c1-2-12(4-3-5-12)16-11(17)9-6-8(13)7-15-10(9)14/h6-7H,2-5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyJAAGJWJGYPJWAX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide

2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide (PubChem CID 114035108) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
PubChem CID114035108
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
SMILESCCC1(NC(=O)c2cc(F)cnc2N)CCC1
InChIInChI=1S/C12H16FN3O/c1-2-12(4-3-5-12)16-11(17)9-6-8(13)7-15-10(9)14/h6-7H,2-5H2,1H3,(H2,14,15)(H,16,17)
InChIKeyJAAGJWJGYPJWAX-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
CID 113488542
5-amino-N-(1-ethylcyclobutyl)-1-methylpyrazole-4-carboxamide
CID 104625668
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
CID 106280114
2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 114037013
N-(1-ethylcyclobutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122311
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697230
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
(2-amino-5-fluoro-3-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114035004
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218206
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide (CID 114035108) is 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide is CCC1(NC(=O)c2cc(F)cnc2N)CCC1.
What is the InChIKey of 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is JAAGJWJGYPJWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-2-12(4-3-5-12)16-11(17)9-6-8(13)7-15-10(9)14/h6-7H,2-5H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide?
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114035108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).