N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide

C15H15FN4O2 — CID 75468791

IUPACN-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ccc(C(N)=O)cc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C15H15FN4O2/c1-20(2)13-4-3-9(14(17)21)6-12(13)19-15(22)10-5-11(16)8-18-7-10/h3-8H,1-2H3,(H2,17,21)(H,19,22)
InChIKeyHLQKSUSMWMWIEO-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.64
Rot. Bonds4

About N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide

N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 75468791) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID75468791
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ccc(C(N)=O)cc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C15H15FN4O2/c1-20(2)13-4-3-9(14(17)21)6-12(13)19-15(22)10-5-11(16)8-18-7-10/h3-8H,1-2H3,(H2,17,21)(H,19,22)
InChIKeyHLQKSUSMWMWIEO-UHFFFAOYSA-N
XLogP1.64
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]phenyl]-5-fluoropyridine-3-carboxamide
CID 104786390
N-carbamoyl-5-fluoropyridine-3-carboxamide
CID 104786685
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
N-[5-amino-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 91675954
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
5-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786338

Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide (CID 75468791) is N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide is CN(C)c1ccc(C(N)=O)cc1NC(=O)c1cncc(F)c1.
What is the InChIKey of N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is HLQKSUSMWMWIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-20(2)13-4-3-9(14(17)21)6-12(13)19-15(22)10-5-11(16)8-18-7-10/h3-8H,1-2H3,(H2,17,21)(H,19,22).
What are the key properties of N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide?
N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 75468791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).