N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide

C19H26N4O2 — CID 72838305

IUPACN-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@@H]1C1CC1
InChIInChI=1S/C19H26N4O2/c1-11-12(2)15(7-20)19(21-13(11)3)23-8-16(14-5-6-14)17(9-23)22-18(24)10-25-4/h14,16-17H,5-6,8-10H2,1-4H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyALJKUMFOJFKFNN-SJORKVTESA-N
MW342.44 g/mol
LogP1.86
Rot. Bonds5

About N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 72838305) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID72838305
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@@H]1C1CC1
InChIInChI=1S/C19H26N4O2/c1-11-12(2)15(7-20)19(21-13(11)3)23-8-16(14-5-6-14)17(9-23)22-18(24)10-25-4/h14,16-17H,5-6,8-10H2,1-4H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyALJKUMFOJFKFNN-SJORKVTESA-N
XLogP1.86
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide (CID 72838305) is N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1CN(c2nc(C)c(C)c(C)c2C#N)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is ALJKUMFOJFKFNN-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-11-12(2)15(7-20)19(21-13(11)3)23-8-16(14-5-6-14)17(9-23)22-18(24)10-25-4/h14,16-17H,5-6,8-10H2,1-4H3,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(3-cyano-4,5,6-trimethyl-2-pyridinyl)-4-cyclopropylpyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 72838305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).