N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide

C14H23N5O2 — CID 154794167

IUPACN-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide
SMILESCN1C[C@@H](CC(=O)N(Cc2cn(C)nn2)C2CC2)[C@H](O)C1
InChIInChI=1S/C14H23N5O2/c1-17-6-10(13(20)9-17)5-14(21)19(12-3-4-12)8-11-7-18(2)16-15-11/h7,10,12-13,20H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyRIYQFSZSXFIFQX-ZWNOBZJWSA-N
MW293.37 g/mol
LogP-0.38
Rot. Bonds5

About N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide

N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide (PubChem CID 154794167) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide
PubChem CID154794167
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide
SMILESCN1C[C@@H](CC(=O)N(Cc2cn(C)nn2)C2CC2)[C@H](O)C1
InChIInChI=1S/C14H23N5O2/c1-17-6-10(13(20)9-17)5-14(21)19(12-3-4-12)8-11-7-18(2)16-15-11/h7,10,12-13,20H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyRIYQFSZSXFIFQX-ZWNOBZJWSA-N
XLogP-0.38
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide (CID 154794167) is N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide is CN1C[C@@H](CC(=O)N(Cc2cn(C)nn2)C2CC2)[C@H](O)C1.
What is the InChIKey of N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide?
The InChIKey is RIYQFSZSXFIFQX-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-6-10(13(20)9-17)5-14(21)19(12-3-4-12)8-11-7-18(2)16-15-11/h7,10,12-13,20H,3-6,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[(1-methyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 154794167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).