6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide

C23H24N6O2 — CID 121374375

IUPAC6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1)C1CC1
InChIInChI=1S/C23H24N6O2/c1-28(17-5-6-17)21(30)15-2-7-19(26-13-15)27-20-12-18(8-10-25-20)29-11-9-23(14-24,22(29)31)16-3-4-16/h2,7-8,10,12-13,16-17H,3-6,9,11H2,1H3,(H,25,26,27)/t23-/m1/s1
InChIKeyFMNOGLOPIQUSFE-HSZRJFAPSA-N
MW416.49 g/mol
LogP3.11
Rot. Bonds6

About 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide

6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide (PubChem CID 121374375) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
PubChem CID121374375
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1)C1CC1
InChIInChI=1S/C23H24N6O2/c1-28(17-5-6-17)21(30)15-2-7-19(26-13-15)27-20-12-18(8-10-25-20)29-11-9-23(14-24,22(29)31)16-3-4-16/h2,7-8,10,12-13,16-17H,3-6,9,11H2,1H3,(H,25,26,27)/t23-/m1/s1
InChIKeyFMNOGLOPIQUSFE-HSZRJFAPSA-N
XLogP3.11
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide (CID 121374375) is 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide is CN(C(=O)c1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1)C1CC1.
What is the InChIKey of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide?
The InChIKey is FMNOGLOPIQUSFE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(17-5-6-17)21(30)15-2-7-19(26-13-15)27-20-12-18(8-10-25-20)29-11-9-23(14-24,22(29)31)16-3-4-16/h2,7-8,10,12-13,16-17H,3-6,9,11H2,1H3,(H,25,26,27)/t23-/m1/s1.
What are the key properties of 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide?
6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]-2-pyridinyl]amino]-N-cyclopropyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 121374375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).