N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

C32H34FN3O3 — CID 155288182

IUPACN-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CNC(C)C
InChIInChI=1S/C32H34FN3O3/c1-19(2)34-18-27-28(33)16-22(17-30(27)39-6)23-10-7-11-24(20(23)3)25-12-8-14-29(21(25)4)35-31(37)26-13-9-15-36(5)32(26)38/h7-17,19,34H,18H2,1-6H3,(H,35,37)
InChIKeyVLQVNLURQUVRFN-UHFFFAOYSA-N
MW527.64 g/mol
LogP6.23
Rot. Bonds8

About N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 155288182) has the molecular formula C32H34FN3O3 and a molecular weight of 527.64 g/mol. Its IUPAC name is N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID155288182
Molecular FormulaC32H34FN3O3
Molecular Weight527.64 g/mol
Exact Mass527.26
IUPAC NameN-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CNC(C)C
InChIInChI=1S/C32H34FN3O3/c1-19(2)34-18-27-28(33)16-22(17-30(27)39-6)23-10-7-11-24(20(23)3)25-12-8-14-29(21(25)4)35-31(37)26-13-9-15-36(5)32(26)38/h7-17,19,34H,18H2,1-6H3,(H,35,37)
InChIKeyVLQVNLURQUVRFN-UHFFFAOYSA-N
XLogP6.23
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 155288182) is N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4cccn(C)c4=O)c3C)c2C)cc(F)c1CNC(C)C.
What is the InChIKey of N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VLQVNLURQUVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O3/c1-19(2)34-18-27-28(33)16-22(17-30(27)39-6)23-10-7-11-24(20(23)3)25-12-8-14-29(21(25)4)35-31(37)26-13-9-15-36(5)32(26)38/h7-17,19,34H,18H2,1-6H3,(H,35,37).
What are the key properties of N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 527.64 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 155288182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).