N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide

C13H16N4O2 — CID 60636572

IUPACN-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H16N4O2/c1-8(2)17(7-11(14)18)13(19)12-9-5-3-4-6-10(9)15-16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyBVYTUKFMEYJPEY-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.90
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide

N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide (PubChem CID 60636572) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
PubChem CID60636572
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H16N4O2/c1-8(2)17(7-11(14)18)13(19)12-9-5-3-4-6-10(9)15-16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyBVYTUKFMEYJPEY-UHFFFAOYSA-N
XLogP0.90
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 43397900
N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 61394676
methyl 2-[(5-amino-1H-indazole-3-carbonyl)-propan-2-ylamino]acetate
CID 61110565
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
1-(1H-indazol-3-yl)ethanone
CID 15684169
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide (CID 60636572) is N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide is CC(C)N(CC(N)=O)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide?
The InChIKey is BVYTUKFMEYJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)17(7-11(14)18)13(19)12-9-5-3-4-6-10(9)15-16-12/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 60636572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).