N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide

C24H21N5O3 — CID 55760872

IUPACN-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C24H21N5O3/c1-16-13-21(28-29(16)19-8-4-3-5-9-19)24(31)26-18-10-11-20(22(14-18)32-2)27-23(30)17-7-6-12-25-15-17/h3-15H,1-2H3,(H,26,31)(H,27,30)
InChIKeyHOYDBEIHFVLSID-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.09
Rot. Bonds6

About N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 55760872) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID55760872
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C24H21N5O3/c1-16-13-21(28-29(16)19-8-4-3-5-9-19)24(31)26-18-10-11-20(22(14-18)32-2)27-23(30)17-7-6-12-25-15-17/h3-15H,1-2H3,(H,26,31)(H,27,30)
InChIKeyHOYDBEIHFVLSID-UHFFFAOYSA-N
XLogP4.09
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
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CID 38661634
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide (CID 55760872) is N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is HOYDBEIHFVLSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-16-13-21(28-29(16)19-8-4-3-5-9-19)24(31)26-18-10-11-20(22(14-18)32-2)27-23(30)17-7-6-12-25-15-17/h3-15H,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55760872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).