N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride

C18H19ClN4O2 — CID 70214874

IUPACN-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-20-18(19)22-17(23)16-9-13-7-8-14(10-15(13)21-16)24-11-12-5-3-2-4-6-12;/h2-10,21H,11H2,1H3,(H3,19,20,22,23);1H
InChIKeyAVZLOPURWSIHCI-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.84
Rot. Bonds4

About N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride

N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride (PubChem CID 70214874) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
PubChem CID70214874
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
SMILESC/N=C(\N)NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-20-18(19)22-17(23)16-9-13-7-8-14(10-15(13)21-16)24-11-12-5-3-2-4-6-12;/h2-10,21H,11H2,1H3,(H3,19,20,22,23);1H
InChIKeyAVZLOPURWSIHCI-UHFFFAOYSA-N
XLogP2.84
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
6-[[5-(aminomethyl)-3-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 139697400
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-(N'-methylcarbamimidoyl)-6-(2-nitrophenoxy)-1H-indole-2-carboxamide
CID 70218200
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
6-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70213563
6-[(3-aminophenyl)methoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216318
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
6-[(5-amino-3-pyridinyl)oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216713

Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride (CID 70214874) is N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride is C/N=C(\N)NC(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1.Cl.
What is the InChIKey of N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is AVZLOPURWSIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.ClH/c1-20-18(19)22-17(23)16-9-13-7-8-14(10-15(13)21-16)24-11-12-5-3-2-4-6-12;/h2-10,21H,11H2,1H3,(H3,19,20,22,23);1H.
What are the key properties of N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride?
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 70214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).