N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride

C11H13ClN4O — CID 70218079

IUPACN-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H12N4O.ClH/c1-15(11(12)13)10(16)8-4-2-3-7-5-6-14-9(7)8;/h2-6,14H,1H3,(H3,12,13);1H
InChIKeyMZNQKPDFSYYPRR-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.56
Rot. Bonds1

About N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride

N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride (PubChem CID 70218079) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride
PubChem CID70218079
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC NameN-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C11H12N4O.ClH/c1-15(11(12)13)10(16)8-4-2-3-7-5-6-14-9(7)8;/h2-6,14H,1H3,(H3,12,13);1H
InChIKeyMZNQKPDFSYYPRR-UHFFFAOYSA-N
XLogP1.56
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-N-methyl-1H-indole-7-carboxamide;hydrochloride?
The IUPAC name of N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride (CID 70218079) is N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride.
What is the SMILES notation for N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride?
The canonical SMILES for N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride is Cl.[H]/N=C(\N)N(C)C(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride?
The InChIKey is MZNQKPDFSYYPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.ClH/c1-15(11(12)13)10(16)8-4-2-3-7-5-6-14-9(7)8;/h2-6,14H,1H3,(H3,12,13);1H.
What are the key properties of N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride?
N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride has a molecular weight of 252.71 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride is sourced from PubChem (CID 70218079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).