N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide

C16H18FN3O — CID 64950255

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C16H18FN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-7-8-19-9-14(13)17/h3-9H,10,18H2,1-2H3,(H,20,21)
InChIKeyVJFPJUAUSBQHAS-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64950255) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID64950255
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C16H18FN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-7-8-19-9-14(13)17/h3-9H,10,18H2,1-2H3,(H,20,21)
InChIKeyVJFPJUAUSBQHAS-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64951437
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949504
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
3-fluoro-N-[4-[1-(methylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 64950472
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide (CID 64950255) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide is CC(C)(CN)c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is VJFPJUAUSBQHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-16(2,10-18)11-3-5-12(6-4-11)20-15(21)13-7-8-19-9-14(13)17/h3-9H,10,18H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).