N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide

C28H27N5O4 — CID 154054461

IUPACN-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccncc4)ccc3O)cc2C2CCC2)cc1
InChIInChI=1S/C28H27N5O4/c1-37-22-8-5-18(6-9-22)17-30-28(36)33-25(19-3-2-4-19)16-24(32-33)23-15-21(7-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h5-16,19,34H,2-4,17H2,1H3,(H,30,36)(H,31,35)
InChIKeyHEIWWTQUPPJQOT-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.94
Rot. Bonds7

About N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide

N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide (PubChem CID 154054461) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
PubChem CID154054461
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC NameN-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccncc4)ccc3O)cc2C2CCC2)cc1
InChIInChI=1S/C28H27N5O4/c1-37-22-8-5-18(6-9-22)17-30-28(36)33-25(19-3-2-4-19)16-24(32-33)23-15-21(7-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h5-16,19,34H,2-4,17H2,1H3,(H,30,36)(H,31,35)
InChIKeyHEIWWTQUPPJQOT-UHFFFAOYSA-N
XLogP4.94
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154054230
N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054469
N-[4-[5-cyclopropyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-4-carboxamide
CID 154055483
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141
5-cyclobutyl-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055247
5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055801
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056071
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide (CID 154054461) is N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccncc4)ccc3O)cc2C2CCC2)cc1.
What is the InChIKey of N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The InChIKey is HEIWWTQUPPJQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-37-22-8-5-18(6-9-22)17-30-28(36)33-25(19-3-2-4-19)16-24(32-33)23-15-21(7-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h5-16,19,34H,2-4,17H2,1H3,(H,30,36)(H,31,35).
What are the key properties of N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154054461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).