N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride

C12H15ClN4O2 — CID 70216272

IUPACN-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C12H14N4O2.ClH/c1-16(12(13)14)11(17)10-6-7-5-8(18-2)3-4-9(7)15-10;/h3-6,15H,1-2H3,(H3,13,14);1H
InChIKeyVCFFWZJEIFGDFH-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.56
Rot. Bonds2

About N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride

N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride (PubChem CID 70216272) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
PubChem CID70216272
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC NameN-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cc2cc(OC)ccc2[nH]1
InChIInChI=1S/C12H14N4O2.ClH/c1-16(12(13)14)11(17)10-6-7-5-8(18-2)3-4-9(7)15-10;/h3-6,15H,1-2H3,(H3,13,14);1H
InChIKeyVCFFWZJEIFGDFH-UHFFFAOYSA-N
XLogP1.56
TPSA95.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride (CID 70216272) is N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride is Cl.[H]/N=C(\N)N(C)C(=O)c1cc2cc(OC)ccc2[nH]1.
What is the InChIKey of N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is VCFFWZJEIFGDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.ClH/c1-16(12(13)14)11(17)10-6-7-5-8(18-2)3-4-9(7)15-10;/h3-6,15H,1-2H3,(H3,13,14);1H.
What are the key properties of N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride?
N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 70216272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).