N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide

C14H17FN6O — CID 122319790

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cncc(F)c2)c(N(C)C)n1
InChIInChI=1S/C14H17FN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22)
InChIKeyNEDLLARASWFUFY-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.39
Rot. Bonds4

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 122319790) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
PubChem CID122319790
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cncc(F)c2)c(N(C)C)n1
InChIInChI=1S/C14H17FN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22)
InChIKeyNEDLLARASWFUFY-UHFFFAOYSA-N
XLogP1.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 71807673
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
CID 122319704
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319694
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
CID 75468791
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
N-[4-(dimethylamino)pyrimidin-5-yl]-3,4-difluorobenzamide
CID 122142561
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide (CID 122319790) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide is CN(C)c1ncc(NC(=O)c2cncc(F)c2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is NEDLLARASWFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-20(2)12-11(8-17-14(19-12)21(3)4)18-13(22)9-5-10(15)7-16-6-9/h5-8H,1-4H3,(H,18,22).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 122319790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).