N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

About N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide

N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 155379566) has the molecular formula C34H32FN5O4 and a molecular weight of 593.66 g/mol. Its IUPAC name is N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
PubChem CID	155379566
Molecular Formula	C34H32FN5O4
Molecular Weight	593.66 g/mol
Exact Mass	593.24
IUPAC Name	N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide
SMILES	COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccccn4)c3C)c2C)cc(F)c1CN1CCC2(C1)NC(=O)NC2=O
InChI	InChI=1S/C34H32FN5O4/c1-20-23(8-6-9-24(20)25-10-7-12-28(21(25)2)37-31(41)29-11-4-5-14-36-29)22-16-27(35)26(30(17-22)44-3)18-40-15-13-34(19-40)32(42)38-33(43)39-34/h4-12,14,16-17H,13,15,18-19H2,1-3H3,(H,37,41)(H2,38,39,42,43)
InChIKey	JLYIXPLGMZJZNT-UHFFFAOYSA-N
XLogP	5.22
TPSA	112.66 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.66
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The IUPAC name of N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide (CID 155379566) is N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4ccccn4)c3C)c2C)cc(F)c1CN1CCC2(C1)NC(=O)NC2=O.

What is the InChIKey of N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

The InChIKey is JLYIXPLGMZJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O4/c1-20-23(8-6-9-24(20)25-10-7-12-28(21(25)2)37-31(41)29-11-4-5-14-36-29)22-16-27(35)26(30(17-22)44-3)18-40-15-13-34(19-40)32(42)38-33(43)39-34/h4-12,14,16-17H,13,15,18-19H2,1-3H3,(H,37,41)(H2,38,39,42,43).

What are the key properties of N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide?

N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 593.66 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[4-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 155379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).