N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C19H18FN5O3 — CID 166874283

IUPACN-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C19H18FN5O3/c1-25-15(7-8-23-25)19(27)22-11-17(26)24-13-5-3-12(4-6-13)18-14(20)9-21-10-16(18)28-2/h3-10H,11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBQTNTSNWUYRLIW-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 166874283) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID166874283
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC NameN-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cncc(F)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C19H18FN5O3/c1-25-15(7-8-23-25)19(27)22-11-17(26)24-13-5-3-12(4-6-13)18-14(20)9-21-10-16(18)28-2/h3-10H,11H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBQTNTSNWUYRLIW-UHFFFAOYSA-N
XLogP2.00
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(3,5-dimethyl-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 166874282
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 91945696
N-[2-[[5-(3,5-dimethyl-4-pyridinyl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 166874299
N-[3-(4-cyanoanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
CID 91945752
N-[3-(3-methoxyanilino)-3-oxopropyl]-2-methylpyrazole-3-carboxamide
CID 91945753
N-[(2S)-1-[4-(3-fluoro-4-pyridinyl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362369
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 166874283) is N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is COc1cncc(F)c1-c1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BQTNTSNWUYRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-25-15(7-8-23-25)19(27)22-11-17(26)24-13-5-3-12(4-6-13)18-14(20)9-21-10-16(18)28-2/h3-10H,11H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 383.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluoro-5-methoxy-4-pyridinyl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166874283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).