7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride

C15H23Cl2N5O2 — CID 70217829

IUPAC7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCCN)c2[nH]1
InChIInChI=1S/C15H21N5O2.2ClH/c1-9-4-5-12(22-7-3-6-16)13-10(9)8-11(19-13)14(21)20(2)15(17)18;;/h4-5,8,19H,3,6-7,16H2,1-2H3,(H3,17,18);2*1H
InChIKeySYKIWBWQZAFFTH-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.01
Rot. Bonds5

About 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride

7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 70217829) has the molecular formula C15H23Cl2N5O2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride
PubChem CID70217829
Molecular FormulaC15H23Cl2N5O2
Molecular Weight376.29 g/mol
Exact Mass375.12
IUPAC Name7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCCN)c2[nH]1
InChIInChI=1S/C15H21N5O2.2ClH/c1-9-4-5-12(22-7-3-6-16)13-10(9)8-11(19-13)14(21)20(2)15(17)18;;/h4-5,8,19H,3,6-7,16H2,1-2H3,(H3,17,18);2*1H
InChIKeySYKIWBWQZAFFTH-UHFFFAOYSA-N
XLogP2.01
TPSA121.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride (CID 70217829) is 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCCN)c2[nH]1.
What is the InChIKey of 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is SYKIWBWQZAFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2.2ClH/c1-9-4-5-12(22-7-3-6-16)13-10(9)8-11(19-13)14(21)20(2)15(17)18;;/h4-5,8,19H,3,6-7,16H2,1-2H3,(H3,17,18);2*1H.
What are the key properties of 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride?
7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 376.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 70217829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).