N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide

C24H19ClFN5O2 — CID 55985472

IUPACN-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
SMILESCc1nn(-c2ccc(C(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cc2)c(C)c1Cl
InChIInChI=1S/C24H19ClFN5O2/c1-14-22(25)15(2)31(30-14)18-9-6-16(7-10-18)23(32)29-21-13-17(26)8-11-19(21)28-24(33)20-5-3-4-12-27-20/h3-13H,1-2H3,(H,28,33)(H,29,32)
InChIKeyURUYTYDHACPGLC-UHFFFAOYSA-N
MW463.90 g/mol
LogP5.18
Rot. Bonds5

About N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide

N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide (PubChem CID 55985472) has the molecular formula C24H19ClFN5O2 and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
PubChem CID55985472
Molecular FormulaC24H19ClFN5O2
Molecular Weight463.90 g/mol
Exact Mass463.12
IUPAC NameN-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
SMILESCc1nn(-c2ccc(C(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cc2)c(C)c1Cl
InChIInChI=1S/C24H19ClFN5O2/c1-14-22(25)15(2)31(30-14)18-9-6-16(7-10-18)23(32)29-21-13-17(26)8-11-19(21)28-24(33)20-5-3-4-12-27-20/h3-13H,1-2H3,(H,28,33)(H,29,32)
InChIKeyURUYTYDHACPGLC-UHFFFAOYSA-N
XLogP5.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.90
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55984963
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78893655
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 46436724
N-[5-fluoro-2-(pyridine-2-carbonylamino)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55984574
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 26902934
N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
CID 55617066
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide (CID 55985472) is N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide is Cc1nn(-c2ccc(C(=O)Nc3cc(F)ccc3NC(=O)c3ccccn3)cc2)c(C)c1Cl.
What is the InChIKey of N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is URUYTYDHACPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O2/c1-14-22(25)15(2)31(30-14)18-9-6-16(7-10-18)23(32)29-21-13-17(26)8-11-19(21)28-24(33)20-5-3-4-12-27-20/h3-13H,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide?
N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 55985472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).