N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide

C14H19N3O3 — CID 138023766

IUPACN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H19N3O3/c1-9(19)12(8-18)15-14(20)7-11-10-5-3-4-6-13(10)17(2)16-11/h3-6,9,12,18-19H,7-8H2,1-2H3,(H,15,20)/t9-,12-/m1/s1
InChIKeyYZTWTJWTHJIUSF-BXKDBHETSA-N
MW277.32 g/mol
LogP-0.03
Rot. Bonds5

About N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide

N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide (PubChem CID 138023766) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide
PubChem CID138023766
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)Cc1nn(C)c2ccccc12
InChIInChI=1S/C14H19N3O3/c1-9(19)12(8-18)15-14(20)7-11-10-5-3-4-6-13(10)17(2)16-11/h3-6,9,12,18-19H,7-8H2,1-2H3,(H,15,20)/t9-,12-/m1/s1
InChIKeyYZTWTJWTHJIUSF-BXKDBHETSA-N
XLogP-0.03
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide?
The IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide (CID 138023766) is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide?
The canonical SMILES for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide is C[C@@H](O)[C@@H](CO)NC(=O)Cc1nn(C)c2ccccc12.
What is the InChIKey of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide?
The InChIKey is YZTWTJWTHJIUSF-BXKDBHETSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(19)12(8-18)15-14(20)7-11-10-5-3-4-6-13(10)17(2)16-11/h3-6,9,12,18-19H,7-8H2,1-2H3,(H,15,20)/t9-,12-/m1/s1.
What are the key properties of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide?
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-(1-methylindazol-3-yl)acetamide is sourced from PubChem (CID 138023766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).