N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C19H17ClFN5O2 — CID 78843518

IUPACN-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1F
InChIInChI=1S/C19H17ClFN5O2/c1-10-8-11(2)26(25-10)17-7-5-14(20)18(24-17)19(28)23-13-4-6-15(21)16(9-13)22-12(3)27/h4-9H,1-3H3,(H,22,27)(H,23,28)
InChIKeyDHWOYGRZXFYCMH-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.89
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 78843518) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID78843518
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1F
InChIInChI=1S/C19H17ClFN5O2/c1-10-8-11(2)26(25-10)17-7-5-14(20)18(24-17)19(28)23-13-4-6-15(21)16(9-13)22-12(3)27/h4-9H,1-3H3,(H,22,27)(H,23,28)
InChIKeyDHWOYGRZXFYCMH-UHFFFAOYSA-N
XLogP3.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 78843518) is N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is CC(=O)Nc1cc(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is DHWOYGRZXFYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-10-8-11(2)26(25-10)17-7-5-14(20)18(24-17)19(28)23-13-4-6-15(21)16(9-13)22-12(3)27/h4-9H,1-3H3,(H,22,27)(H,23,28).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 401.83 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 78843518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).