3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide

C14H20N4O — CID 55041030

IUPAC3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(Cn1ncc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N4O/c1-10(2)17-14(3,13(15)19)9-18-12-7-5-4-6-11(12)8-16-18/h4-8,10,17H,9H2,1-3H3,(H2,15,19)
InChIKeyDJMNVYPXVFYSHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds5

About 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide

3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide (PubChem CID 55041030) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide
PubChem CID55041030
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(Cn1ncc2ccccc21)C(N)=O
InChIInChI=1S/C14H20N4O/c1-10(2)17-14(3,13(15)19)9-18-12-7-5-4-6-11(12)8-16-18/h4-8,10,17H,9H2,1-3H3,(H2,15,19)
InChIKeyDJMNVYPXVFYSHJ-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide (CID 55041030) is 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(Cn1ncc2ccccc21)C(N)=O.
What is the InChIKey of 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide?
The InChIKey is DJMNVYPXVFYSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)17-14(3,13(15)19)9-18-12-7-5-4-6-11(12)8-16-18/h4-8,10,17H,9H2,1-3H3,(H2,15,19).
What are the key properties of 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide?
3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-2-methyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 55041030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).