N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C18H24N4O2 — CID 170858431

IUPACN-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-12(17(23)19-11-13-7-3-2-4-8-13)20-18(24)16-14-9-5-6-10-15(14)21-22-16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAOJNPPQJQSSIBQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.38
Rot. Bonds5

About N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 170858431) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID170858431
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H24N4O2/c1-12(17(23)19-11-13-7-3-2-4-8-13)20-18(24)16-14-9-5-6-10-15(14)21-22-16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyAOJNPPQJQSSIBQ-UHFFFAOYSA-N
XLogP2.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 86887251
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N-(2-amino-1-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 106737709
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 119652161

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 170858431) is N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is AOJNPPQJQSSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(17(23)19-11-13-7-3-2-4-8-13)20-18(24)16-14-9-5-6-10-15(14)21-22-16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).