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

C26H25N7O3 — CID 24849198

IUPACN-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O
InChIInChI=1S/C26H25N7O3/c1-32-24(34)21(17-29-25(32)30-18-7-3-2-4-8-18)22-10-9-20(16-28-22)36-19-11-12-27-23(15-19)31-26(35)33-13-5-6-14-33/h2-4,7-12,15-17H,5-6,13-14H2,1H3,(H,29,30)(H,27,31,35)
InChIKeyGGYVXUXDDSIDSG-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.40
Rot. Bonds6

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

N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (PubChem CID 24849198) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
PubChem CID24849198
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide
SMILESCn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O
InChIInChI=1S/C26H25N7O3/c1-32-24(34)21(17-29-25(32)30-18-7-3-2-4-8-18)22-10-9-20(16-28-22)36-19-11-12-27-23(15-19)31-26(35)33-13-5-6-14-33/h2-4,7-12,15-17H,5-6,13-14H2,1H3,(H,29,30)(H,27,31,35)
InChIKeyGGYVXUXDDSIDSG-UHFFFAOYSA-N
XLogP4.40
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.40
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-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide (CID 24849198) is N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is Cn1c(Nc2ccccc2)ncc(-c2ccc(Oc3ccnc(NC(=O)N4CCCC4)c3)cn2)c1=O.
What is the InChIKey of N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
The InChIKey is GGYVXUXDDSIDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-32-24(34)21(17-29-25(32)30-18-7-3-2-4-8-18)22-10-9-20(16-28-22)36-19-11-12-27-23(15-19)31-26(35)33-13-5-6-14-33/h2-4,7-12,15-17H,5-6,13-14H2,1H3,(H,29,30)(H,27,31,35).
What are the key properties of N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide?
N-[4-[[6-(2-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.40, 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-anilino-1-methyl-6-oxopyrimidin-5-yl)-3-pyridinyl]oxy]-2-pyridinyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 24849198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).