N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide

C22H19F2N5O2 — CID 138683920

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide
SMILESCn1ccc2cc(-c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)ccc21
InChIInChI=1S/C22H19F2N5O2/c1-28-7-5-15-8-14(2-3-19(15)28)18-11-26-6-4-17(18)21(31)27-12-20(30)29-13-22(23,24)9-16(29)10-25/h2-8,11,16H,9,12-13H2,1H3,(H,27,31)
InChIKeyABFZBMQZYHAXHI-UHFFFAOYSA-N
MW423.42 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide (PubChem CID 138683920) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide
PubChem CID138683920
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide
SMILESCn1ccc2cc(-c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)ccc21
InChIInChI=1S/C22H19F2N5O2/c1-28-7-5-15-8-14(2-3-19(15)28)18-11-26-6-4-17(18)21(31)27-12-20(30)29-13-22(23,24)9-16(29)10-25/h2-8,11,16H,9,12-13H2,1H3,(H,27,31)
InChIKeyABFZBMQZYHAXHI-UHFFFAOYSA-N
XLogP2.73
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 138683771
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridine-4-carboxamide
CID 138683728
3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 138726313
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 138689971
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-ethylphenyl)pyridine-4-carboxamide
CID 138683926
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 138683833
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(5-fluoronaphthalen-1-yl)pyridine-4-carboxamide
CID 152541938
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-hydroxycyclopropyl)pyridine-4-carboxamide
CID 138683834
N-[2-(2-cyano-5,5-difluoropiperidin-1-yl)-2-oxoethyl]-3-phenylpyridine-4-carboxamide
CID 150932359
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-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-3-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 138683610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide (CID 138683920) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide is Cn1ccc2cc(-c3cnccc3C(=O)NCC(=O)N3CC(F)(F)CC3C#N)ccc21.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide?
The InChIKey is ABFZBMQZYHAXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-28-7-5-15-8-14(2-3-19(15)28)18-11-26-6-4-17(18)21(31)27-12-20(30)29-13-22(23,24)9-16(29)10-25/h2-8,11,16H,9,12-13H2,1H3,(H,27,31).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylindol-5-yl)pyridine-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylindol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138683920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).