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

C23H18FN5O3 — CID 55834776

IUPACN-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C23H18FN5O3/c1-32-20-14-29(16-7-3-2-4-8-16)28-21(20)23(31)27-19-13-15(24)10-11-17(19)26-22(30)18-9-5-6-12-25-18/h2-14H,1H3,(H,26,30)(H,27,31)
InChIKeyJZIDVXZGWTXPHS-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.92
Rot. Bonds6

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

N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 55834776) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
PubChem CID55834776
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC NameN-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C23H18FN5O3/c1-32-20-14-29(16-7-3-2-4-8-16)28-21(20)23(31)27-19-13-15(24)10-11-17(19)26-22(30)18-9-5-6-12-25-18/h2-14H,1H3,(H,26,30)(H,27,31)
InChIKeyJZIDVXZGWTXPHS-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

4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
N-[2-[(5-chloro-2-methoxybenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834271
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
CID 39964657
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55984574

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide (CID 55834776) is N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is JZIDVXZGWTXPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c1-32-20-14-29(16-7-3-2-4-8-16)28-21(20)23(31)27-19-13-15(24)10-11-17(19)26-22(30)18-9-5-6-12-25-18/h2-14H,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-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-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55834776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).