N-tert-butyl-2-fluoropyridine-3-carboxamide

C10H13FN2O — CID 83405548

IUPACN-tert-butyl-2-fluoropyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1F
InChIInChI=1S/C10H13FN2O/c1-10(2,3)13-9(14)7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)
InChIKeyKWKNJNTVKZAITJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.75
Rot. Bonds1

About N-tert-butyl-2-fluoropyridine-3-carboxamide

N-tert-butyl-2-fluoropyridine-3-carboxamide (PubChem CID 83405548) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is N-tert-butyl-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluoropyridine-3-carboxamide
PubChem CID83405548
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameN-tert-butyl-2-fluoropyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1F
InChIInChI=1S/C10H13FN2O/c1-10(2,3)13-9(14)7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)
InChIKeyKWKNJNTVKZAITJ-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
4-[(2-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037496
2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 114037475
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
CID 91292292
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
N-tert-butyl-2-hydroxybenzamide
CID 139189948
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-fluoropyridine-3-carboxamide (CID 83405548) is N-tert-butyl-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-fluoropyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1F.
What is the InChIKey of N-tert-butyl-2-fluoropyridine-3-carboxamide?
The InChIKey is KWKNJNTVKZAITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-10(2,3)13-9(14)7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-fluoropyridine-3-carboxamide?
N-tert-butyl-2-fluoropyridine-3-carboxamide has a molecular weight of 196.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 83405548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).