7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

C18H19N5O2 — CID 70213833

IUPAC7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccc(CN)cc3)c2[nH]1
InChIInChI=1S/C18H19N5O2/c1-21-18(20)23-17(24)14-9-12-3-2-4-15(16(12)22-14)25-13-7-5-11(10-19)6-8-13/h2-9,22H,10,19H2,1H3,(H3,20,21,23,24)
InChIKeyDDPZOMWAHCSRFR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.09
Rot. Bonds4

About 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70213833) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70213833
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2cccc(Oc3ccc(CN)cc3)c2[nH]1
InChIInChI=1S/C18H19N5O2/c1-21-18(20)23-17(24)14-9-12-3-2-4-15(16(12)22-14)25-13-7-5-11(10-19)6-8-13/h2-9,22H,10,19H2,1H3,(H3,20,21,23,24)
InChIKeyDDPZOMWAHCSRFR-UHFFFAOYSA-N
XLogP2.09
TPSA118.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-7-[4-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 70214887
N-(N'-methylcarbamimidoyl)-7-(4-nitrophenoxy)-1H-indole-2-carboxamide
CID 70218204
7-[4-(aminomethyl)phenoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213649
7-(2-aminophenoxy)-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70213619
N-(N'-methylcarbamimidoyl)-7-[2-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 70215082
N-(N'-methylcarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]oxy-1H-indole-2-carboxamide
CID 139697399
6-[4-(aminomethyl)phenoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215578
7-acetamido-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216865
4-chloro-7-[4-[(dimethylamino)methyl]phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216682
7-[[5-(aminomethyl)-3-pyridinyl]oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216729
N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 22097779
6-[[5-(aminomethyl)-3-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 139697400

Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70213833) is 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2cccc(Oc3ccc(CN)cc3)c2[nH]1.
What is the InChIKey of 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is DDPZOMWAHCSRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21-18(20)23-17(24)14-9-12-3-2-4-15(16(12)22-14)25-13-7-5-11(10-19)6-8-13/h2-9,22H,10,19H2,1H3,(H3,20,21,23,24).
What are the key properties of 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70213833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).