N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide

C16H18FN3O — CID 113029972

IUPACN-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyMPGAAMJTUVNCGY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.68
Rot. Bonds3

About N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide

N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 113029972) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
PubChem CID113029972
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESCC(C)(C)Nc1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C16H18FN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21)
InChIKeyMPGAAMJTUVNCGY-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(tert-butylamino)-2-pyridinyl]-2-chlorobenzamide
CID 113030002
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581

Frequently Asked Questions

What is the IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide (CID 113029972) is N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide is CC(C)(C)Nc1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is MPGAAMJTUVNCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-16(2,3)20-11-8-9-14(18-10-11)19-15(21)12-6-4-5-7-13(12)17/h4-10,20H,1-3H3,(H,18,19,21).
What are the key properties of N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 287.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113029972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).