N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide

C28H22FN9O4 — CID 123145935

IUPACN-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESCc1cc(Oc2cncnc2)cc(C(=O)NCCc2cc(Oc3cncnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1
InChIInChI=1S/C28H22FN9O4/c1-17-7-19(41-21-11-30-15-31-12-21)9-23(35-17)27(39)34-6-5-18-8-20(42-22-13-32-16-33-14-22)10-24(36-18)28(40)38-26-4-2-3-25(29)37-26/h2-4,7-16H,5-6H2,1H3,(H,34,39)(H,37,38,40)
InChIKeyZUQDYLOUTSBXEA-UHFFFAOYSA-N
MW567.54 g/mol
LogP3.71
Rot. Bonds10

About N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide

N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide (PubChem CID 123145935) has the molecular formula C28H22FN9O4 and a molecular weight of 567.54 g/mol. Its IUPAC name is N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
PubChem CID123145935
Molecular FormulaC28H22FN9O4
Molecular Weight567.54 g/mol
Exact Mass567.18
IUPAC NameN-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESCc1cc(Oc2cncnc2)cc(C(=O)NCCc2cc(Oc3cncnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1
InChIInChI=1S/C28H22FN9O4/c1-17-7-19(41-21-11-30-15-31-12-21)9-23(35-17)27(39)34-6-5-18-8-20(42-22-13-32-16-33-14-22)10-24(36-18)28(40)38-26-4-2-3-25(29)37-26/h2-4,7-16H,5-6H2,1H3,(H,34,39)(H,37,38,40)
InChIKeyZUQDYLOUTSBXEA-UHFFFAOYSA-N
XLogP3.71
TPSA166.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.54
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide with MolForge

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Related Compounds

Auglurant
CID 60168069
4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-N-methylpicolinamide
CID 59174579
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197714
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The IUPAC name of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide (CID 123145935) is N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide is Cc1cc(Oc2cncnc2)cc(C(=O)NCCc2cc(Oc3cncnc3)cc(C(=O)Nc3cccc(F)n3)n2)n1.
What is the InChIKey of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The InChIKey is ZUQDYLOUTSBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN9O4/c1-17-7-19(41-21-11-30-15-31-12-21)9-23(35-17)27(39)34-6-5-18-8-20(42-22-13-32-16-33-14-22)10-24(36-18)28(40)38-26-4-2-3-25(29)37-26/h2-4,7-16H,5-6H2,1H3,(H,34,39)(H,37,38,40).
What are the key properties of N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide?
N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide has a molecular weight of 567.54 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(6-fluoro-2-pyridinyl)carbamoyl]-4-pyrimidin-5-yloxy-2-pyridinyl]ethyl]-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide is sourced from PubChem (CID 123145935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).