N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C18H16N6O2 — CID 94750012

IUPACN-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H16N6O2/c1-11(17(25)23-24-10-19-14-8-4-5-9-15(14)24)20-18(26)16-12-6-2-3-7-13(12)21-22-16/h2-11H,1H3,(H,20,26)(H,21,22)(H,23,25)/t11-/m1/s1
InChIKeyDYQNJZQENUHUBU-LLVKDONJSA-N
MW348.37 g/mol
LogP1.80
Rot. Bonds4

About N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 94750012) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID94750012
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21
InChIInChI=1S/C18H16N6O2/c1-11(17(25)23-24-10-19-14-8-4-5-9-15(14)24)20-18(26)16-12-6-2-3-7-13(12)21-22-16/h2-11H,1H3,(H,20,26)(H,21,22)(H,23,25)/t11-/m1/s1
InChIKeyDYQNJZQENUHUBU-LLVKDONJSA-N
XLogP1.80
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 51134974
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 94750012) is N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nn1cnc2ccccc21.
What is the InChIKey of N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is DYQNJZQENUHUBU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-11(17(25)23-24-10-19-14-8-4-5-9-15(14)24)20-18(26)16-12-6-2-3-7-13(12)21-22-16/h2-11H,1H3,(H,20,26)(H,21,22)(H,23,25)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(benzimidazol-1-ylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 94750012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).