N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide

C25H24N6O2 — CID 139327554

IUPACN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCn1cc(-c2cccc(CC(=O)Nc3cc(N4CC[C@@](C#N)(C5CC5)C4=O)ccn3)c2)cn1
InChIInChI=1S/C25H24N6O2/c1-30-15-19(14-28-30)18-4-2-3-17(11-18)12-23(32)29-22-13-21(7-9-27-22)31-10-8-25(16-26,24(31)33)20-5-6-20/h2-4,7,9,11,13-15,20H,5-6,8,10,12H2,1H3,(H,27,29,32)/t25-/m1/s1
InChIKeyRNAKYUYNUPGFKC-RUZDIDTESA-N
MW440.51 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide

N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide (PubChem CID 139327554) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
PubChem CID139327554
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
SMILESCn1cc(-c2cccc(CC(=O)Nc3cc(N4CC[C@@](C#N)(C5CC5)C4=O)ccn3)c2)cn1
InChIInChI=1S/C25H24N6O2/c1-30-15-19(14-28-30)18-4-2-3-17(11-18)12-23(32)29-22-13-21(7-9-27-22)31-10-8-25(16-26,24(31)33)20-5-6-20/h2-4,7,9,11,13-15,20H,5-6,8,10,12H2,1H3,(H,27,29,32)/t25-/m1/s1
InChIKeyRNAKYUYNUPGFKC-RUZDIDTESA-N
XLogP3.32
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide (CID 139327554) is N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide is Cn1cc(-c2cccc(CC(=O)Nc3cc(N4CC[C@@](C#N)(C5CC5)C4=O)ccn3)c2)cn1.
What is the InChIKey of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
The InChIKey is RNAKYUYNUPGFKC-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N6O2/c1-30-15-19(14-28-30)18-4-2-3-17(11-18)12-23(32)29-22-13-21(7-9-27-22)31-10-8-25(16-26,24(31)33)20-5-6-20/h2-4,7,9,11,13-15,20H,5-6,8,10,12H2,1H3,(H,27,29,32)/t25-/m1/s1.
What are the key properties of N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide?
N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide has a molecular weight of 440.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 139327554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).