N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide

C18H20N4O2 — CID 20740205

IUPACN-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide
SMILESN#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N4O2/c19-8-10-21-18(24)14-3-1-2-4-16(14)22-17(23)13-5-6-15-12(11-13)7-9-20-15/h5-7,9,11,14,16,20H,1-4,10H2,(H,21,24)(H,22,23)/t14-,16+/m1/s1
InChIKeyAXLMHCZGWYCIHR-ZBFHGGJFSA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds4

About N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide

N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide (PubChem CID 20740205) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide
PubChem CID20740205
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide
SMILESN#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C18H20N4O2/c19-8-10-21-18(24)14-3-1-2-4-16(14)22-17(23)13-5-6-15-12(11-13)7-9-20-15/h5-7,9,11,14,16,20H,1-4,10H2,(H,21,24)(H,22,23)/t14-,16+/m1/s1
InChIKeyAXLMHCZGWYCIHR-ZBFHGGJFSA-N
XLogP2.10
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 18417010
2-butyl-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-6-carboxamide
CID 20732571
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
2-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-5-methylsulfanylbenzamide
CID 18417005
2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide
CID 18417047
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1H-indole-5-carboxamide
CID 59878895
5-chloro-N-[(1R,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-2-methoxybenzamide
CID 87983811
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11373344
N-[(1R,2S)-2-[(3aS,4R,9bR)-4-(methoxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carbonyl]cyclohexyl]-1H-indole-5-carboxamide
CID 67150414
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide (CID 20740205) is N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide is N#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide?
The InChIKey is AXLMHCZGWYCIHR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-8-10-21-18(24)14-3-1-2-4-16(14)22-17(23)13-5-6-15-12(11-13)7-9-20-15/h5-7,9,11,14,16,20H,1-4,10H2,(H,21,24)(H,22,23)/t14-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide?
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 20740205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).