N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C23H18FN5O3 — CID 55725650

IUPACN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H18FN5O3/c1-32-20-8-7-18(13-19(20)28-22(30)15-4-2-5-17(24)12-15)27-23(31)16-6-9-21(25-14-16)29-11-3-10-26-29/h2-14H,1H3,(H,27,31)(H,28,30)
InChIKeySAWKCZJZAFMIAT-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.92
Rot. Bonds6

About N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55725650) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55725650
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C23H18FN5O3/c1-32-20-8-7-18(13-19(20)28-22(30)15-4-2-5-17(24)12-15)27-23(31)16-6-9-21(25-14-16)29-11-3-10-26-29/h2-14H,1H3,(H,27,31)(H,28,30)
InChIKeySAWKCZJZAFMIAT-UHFFFAOYSA-N
XLogP3.92
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
N-(2,4-difluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3567091
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 55725884
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-[5-(4-aminopentanoylamino)-2-methoxyphenyl]-3-fluorobenzamide
CID 120559883
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734
N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 70953926
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 112827439

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55725650) is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is SAWKCZJZAFMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-32-20-8-7-18(13-19(20)28-22(30)15-4-2-5-17(24)12-15)27-23(31)16-6-9-21(25-14-16)29-11-3-10-26-29/h2-14H,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 431.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55725650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).