N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide

C21H21F2N5O3 — CID 150650715

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide
SMILESCC(=Cc1c(C)noc1C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N
InChIInChI=1S/C21H21F2N5O3/c1-12(6-17-13(2)27-31-14(17)3)18-9-25-5-4-16(18)20(30)26-10-19(29)28-11-21(22,23)7-15(28)8-24/h4-6,9,15H,7,10-11H2,1-3H3,(H,26,30)
InChIKeyJBVAWKRWDXYRLI-UHFFFAOYSA-N
MW429.43 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide (PubChem CID 150650715) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide
PubChem CID150650715
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide
SMILESCC(=Cc1c(C)noc1C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N
InChIInChI=1S/C21H21F2N5O3/c1-12(6-17-13(2)27-31-14(17)3)18-9-25-5-4-16(18)20(30)26-10-19(29)28-11-21(22,23)7-15(28)8-24/h4-6,9,15H,7,10-11H2,1-3H3,(H,26,30)
InChIKeyJBVAWKRWDXYRLI-UHFFFAOYSA-N
XLogP2.74
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyridine-4-carboxamide
CID 154976259
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(diethylamino)pyridine-4-carboxamide
CID 138683753
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 138683833
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridine-4-carboxamide
CID 154979426
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-hydroxycyclopropyl)pyridine-4-carboxamide
CID 138683834
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 138683610
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]pyridine-4-carboxamide
CID 154976208
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridine-4-carboxamide
CID 138683728
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-ethylphenyl)pyridine-4-carboxamide
CID 138683926
3-[(E)-2-(1-benzofuran-2-yl)ethenyl]-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 154966335
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 138683771
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 138689971

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide (CID 150650715) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide is CC(=Cc1c(C)noc1C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide?
The InChIKey is JBVAWKRWDXYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-12(6-17-13(2)27-31-14(17)3)18-9-25-5-4-16(18)20(30)26-10-19(29)28-11-21(22,23)7-15(28)8-24/h4-6,9,15H,7,10-11H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-1-en-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 150650715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).