N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide

C26H24FN7O3 — CID 59218379

IUPACN-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O
InChIInChI=1S/C26H24FN7O3/c1-33-24(35)21(16-30-25(33)31-18-6-4-17(27)5-7-18)22-9-8-20(15-29-22)37-19-10-11-28-23(14-19)32-26(36)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,31)(H,28,32,36)
InChIKeyBDHNAWSLJKSBIF-UHFFFAOYSA-N
MW501.52 g/mol
LogP4.54
Rot. Bonds6

About N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide

N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 59218379) has the molecular formula C26H24FN7O3 and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID59218379
Molecular FormulaC26H24FN7O3
Molecular Weight501.52 g/mol
Exact Mass501.19
IUPAC NameN-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O
InChIInChI=1S/C26H24FN7O3/c1-33-24(35)21(16-30-25(33)31-18-6-4-17(27)5-7-18)22-9-8-20(15-29-22)37-19-10-11-28-23(14-19)32-26(36)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,31)(H,28,32,36)
InChIKeyBDHNAWSLJKSBIF-UHFFFAOYSA-N
XLogP4.54
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 59218379) is N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is Cn1c(Nc2ccc(F)cc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O.
What is the InChIKey of N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is BDHNAWSLJKSBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3/c1-33-24(35)21(16-30-25(33)31-18-6-4-17(27)5-7-18)22-9-8-20(15-29-22)37-19-10-11-28-23(14-19)32-26(36)34-12-2-3-13-34/h4-11,14-16H,2-3,12-13H2,1H3,(H,30,31)(H,28,32,36).
What are the key properties of N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[2-(4-fluoroanilino)-1-methyl-6-oxopyrimidin-5-yl]-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 59218379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).