N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C29H23N5O3 — CID 55901579

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1)Nc1ccccc1
InChIInChI=1S/C29H23N5O3/c35-27(31-22-10-3-1-4-11-22)20-37-25-15-7-12-23(17-25)32-29(36)26-19-34(24-13-5-2-6-14-24)33-28(26)21-9-8-16-30-18-21/h1-19H,20H2,(H,31,35)(H,32,36)
InChIKeyLKXACCHGRSGXSJ-UHFFFAOYSA-N
MW489.54 g/mol
LogP5.20
Rot. Bonds8

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 55901579) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID55901579
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1)Nc1ccccc1
InChIInChI=1S/C29H23N5O3/c35-27(31-22-10-3-1-4-11-22)20-37-25-15-7-12-23(17-25)32-29(36)26-19-34(24-13-5-2-6-14-24)33-28(26)21-9-8-16-30-18-21/h1-19H,20H2,(H,31,35)(H,32,36)
InChIKeyLKXACCHGRSGXSJ-UHFFFAOYSA-N
XLogP5.20
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46527452
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 38396952
N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 42014114
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55501342
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 39043396
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55877892
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27167143

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 55901579) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is O=C(COc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is LKXACCHGRSGXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c35-27(31-22-10-3-1-4-11-22)20-37-25-15-7-12-23(17-25)32-29(36)26-19-34(24-13-5-2-6-14-24)33-28(26)21-9-8-16-30-18-21/h1-19H,20H2,(H,31,35)(H,32,36).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55901579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).