3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C21H18ClF2N5O2 — CID 138998057

IUPAC3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CC(=O)N(c4c(F)cccc4F)C3)n2)n1
InChIInChI=1S/C21H18ClF2N5O2/c1-11-8-12(2)29(27-11)17-7-6-14(22)19(26-17)21(31)25-13-9-18(30)28(10-13)20-15(23)4-3-5-16(20)24/h3-8,13H,9-10H2,1-2H3,(H,25,31)
InChIKeyFZYFUKQDQACWBJ-UHFFFAOYSA-N
MW445.86 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 138998057) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID138998057
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Name3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CC(=O)N(c4c(F)cccc4F)C3)n2)n1
InChIInChI=1S/C21H18ClF2N5O2/c1-11-8-12(2)29(27-11)17-7-6-14(22)19(26-17)21(31)25-13-9-18(30)28(10-13)20-15(23)4-3-5-16(20)24/h3-8,13H,9-10H2,1-2H3,(H,25,31)
InChIKeyFZYFUKQDQACWBJ-UHFFFAOYSA-N
XLogP3.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 138995867
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CID 112826428
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
N-(2-adamantyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112811193
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
N-(4-bromo-2-fluorophenyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784955
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 78901571
(2,3-difluorophenyl)methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55443612
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 138998057) is 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3CC(=O)N(c4c(F)cccc4F)C3)n2)n1.
What is the InChIKey of 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is FZYFUKQDQACWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-11-8-12(2)29(27-11)17-7-6-14(22)19(26-17)21(31)25-13-9-18(30)28(10-13)20-15(23)4-3-5-16(20)24/h3-8,13H,9-10H2,1-2H3,(H,25,31).
What are the key properties of 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138998057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).