6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide

C28H29N5O2 — CID 167341057

IUPAC6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)NC3CCC(NC=O)CC3)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C28H29N5O2/c29-27(30)20-9-8-19-14-26(28(35)32-23-12-10-22(11-13-23)31-17-34)33(25(19)15-20)16-21-6-3-5-18-4-1-2-7-24(18)21/h1-9,14-15,17,22-23H,10-13,16H2,(H3,29,30)(H,31,34)(H,32,35)
InChIKeyYAGSGMWSCKSAOD-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.91
Rot. Bonds7

About 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide

6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide (PubChem CID 167341057) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide
PubChem CID167341057
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide
SMILES[H]/N=C(\N)c1ccc2cc(C(=O)NC3CCC(NC=O)CC3)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C28H29N5O2/c29-27(30)20-9-8-19-14-26(28(35)32-23-12-10-22(11-13-23)31-17-34)33(25(19)15-20)16-21-6-3-5-18-4-1-2-7-24(18)21/h1-9,14-15,17,22-23H,10-13,16H2,(H3,29,30)(H,31,34)(H,32,35)
InChIKeyYAGSGMWSCKSAOD-UHFFFAOYSA-N
XLogP3.91
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-aminocyclohexyl)-6-carbamimidoyl-1-(naphthalen-1-ylmethyl)indole-2-carboxamide
CID 167341292
[4-[[2-[(4-aminocyclohexyl)carbamoyl]-6-carbamimidoylindol-1-yl]methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 167340916
6-carbamimidoyl-1-(naphthalen-1-ylmethyl)-N-(2-piperidin-1-ylethyl)indole-2-carboxamide
CID 147984686
N-(4-aminocyclohexyl)-6-carbamimidoyl-1-(naphthalen-1-ylmethyl)indole-3-carboxamide
CID 167341024
6-carbamimidoyl-1-(naphthalen-1-ylmethyl)-N-[4-(pyridine-2-carbonylamino)phenyl]indole-2-carboxamide
CID 147392136
6-carbamimidoyl-N-[4-(methanesulfonamido)cyclohexyl]-1-(naphthalen-1-ylmethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 167341226
2-methylpropyl N-[2-[(1-methylpiperidin-4-yl)carbamoyl]-1-(naphthalen-1-ylmethyl)indole-6-carboximidoyl]carbamate
CID 174040770
6-carbamimidoyl-N-(2-oxopiperidin-4-yl)-1-[(3-pyrimidin-2-yloxynaphthalen-1-yl)methyl]indole-2-carboxamide
CID 147746992
6-carbamimidoyl-1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylcyclohexyl)indole-2-carboxamide
CID 146459930
1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide
CID 146459868
1-[(3-benzylnaphthalen-1-yl)methyl]-6-carbamimidoylindole-2-carboxylic acid
CID 167340909
N-(4-aminocyclohexyl)-6-(N'-methylcarbamimidoyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 167341123

Frequently Asked Questions

What is the IUPAC name of 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The IUPAC name of 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide (CID 167341057) is 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide is [H]/N=C(\N)c1ccc2cc(C(=O)NC3CCC(NC=O)CC3)n(Cc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide?
The InChIKey is YAGSGMWSCKSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c29-27(30)20-9-8-19-14-26(28(35)32-23-12-10-22(11-13-23)31-17-34)33(25(19)15-20)16-21-6-3-5-18-4-1-2-7-24(18)21/h1-9,14-15,17,22-23H,10-13,16H2,(H3,29,30)(H,31,34)(H,32,35).
What are the key properties of 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide?
6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamimidoyl-N-(4-formamidocyclohexyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 167341057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).