N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide

C12H14N4O — CID 54567133

IUPACN-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2c(C)cccc2[nH]1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(15-9)11(17)16(2)12(13)14/h3-6,15H,1-2H3,(H3,13,14)
InChIKeyZUQJLAVZDZMWHM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.44
Rot. Bonds1

About N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide

N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide (PubChem CID 54567133) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide
PubChem CID54567133
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2c(C)cccc2[nH]1
InChIInChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(15-9)11(17)16(2)12(13)14/h3-6,15H,1-2H3,(H3,13,14)
InChIKeyZUQJLAVZDZMWHM-UHFFFAOYSA-N
XLogP1.44
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.44
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,4-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide (CID 54567133) is N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide is [H]/N=C(\N)N(C)C(=O)c1cc2c(C)cccc2[nH]1.
What is the InChIKey of N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide?
The InChIKey is ZUQJLAVZDZMWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-3-5-9-8(7)6-10(15-9)11(17)16(2)12(13)14/h3-6,15H,1-2H3,(H3,13,14).
What are the key properties of N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide?
N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 54567133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).