N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide

C13H13FN4O — CID 115645650

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C13H13FN4O/c1-18(2)12-4-3-9(7-16-12)17-13(19)10-5-6-15-8-11(10)14/h3-8H,1-2H3,(H,17,19)
InChIKeyOOBQZBNURBVLIU-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.93
Rot. Bonds3

About N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide

N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide (PubChem CID 115645650) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
PubChem CID115645650
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccncc2F)cn1
InChIInChI=1S/C13H13FN4O/c1-18(2)12-4-3-9(7-16-12)17-13(19)10-5-6-15-8-11(10)14/h3-8H,1-2H3,(H,17,19)
InChIKeyOOBQZBNURBVLIU-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-[6-(dimethylamino)-3-pyridinyl]-2-fluoro-5-methylbenzamide
CID 62512980
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
CID 122287408
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
2-bromo-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 103754100
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 103745275
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide (CID 115645650) is N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide is CN(C)c1ccc(NC(=O)c2ccncc2F)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is OOBQZBNURBVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c1-18(2)12-4-3-9(7-16-12)17-13(19)10-5-6-15-8-11(10)14/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115645650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).