N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

C37H35FN4O5 — CID 129135523

IUPACN-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(F)c3)c2)ccc1O
InChIInChI=1S/C37H35FN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-18,20-21,23,43H,11-14,19H2,1-2H3,(H2,39,40)(H,41,45)
InChIKeySPYNXHLVOIIXCP-UHFFFAOYSA-N
MW634.71 g/mol
LogP6.67
Rot. Bonds8

About N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (PubChem CID 129135523) has the molecular formula C37H35FN4O5 and a molecular weight of 634.71 g/mol. Its IUPAC name is N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
PubChem CID129135523
Molecular FormulaC37H35FN4O5
Molecular Weight634.71 g/mol
Exact Mass634.26
IUPAC NameN-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(F)c3)c2)ccc1O
InChIInChI=1S/C37H35FN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-18,20-21,23,43H,11-14,19H2,1-2H3,(H2,39,40)(H,41,45)
InChIKeySPYNXHLVOIIXCP-UHFFFAOYSA-N
XLogP6.67
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.71
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide (CID 129135523) is N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(C)cc5)c4=O)c(F)c3)c2)ccc1O.
What is the InChIKey of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
The InChIKey is SPYNXHLVOIIXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35FN4O5/c1-22-3-5-24(6-4-22)29-20-42(19-23-11-13-47-14-12-23)21-30(35(29)44)37(45)41-32-9-7-26(16-31(32)38)28-15-27(18-40-36(28)39)25-8-10-33(43)34(17-25)46-2/h3-10,15-18,20-21,23,43H,11-14,19H2,1-2H3,(H2,39,40)(H,41,45).
What are the key properties of N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide?
N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide has a molecular weight of 634.71 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]-2-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 129135523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).