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

C18H27Cl2N5O2 — CID 70213785

IUPACN-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCN3CCCC3)c2[nH]1
InChIInChI=1S/C18H25N5O2.2ClH/c1-12-5-6-15(25-10-9-23-7-3-4-8-23)16-13(12)11-14(21-16)17(24)22(2)18(19)20;;/h5-6,11,21H,3-4,7-10H2,1-2H3,(H3,19,20);2*1H
InChIKeyDAZDLBQBEVWOCM-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.76
Rot. Bonds5

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

N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 70213785) has the molecular formula C18H27Cl2N5O2 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride
PubChem CID70213785
Molecular FormulaC18H27Cl2N5O2
Molecular Weight416.35 g/mol
Exact Mass415.15
IUPAC NameN-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCN3CCCC3)c2[nH]1
InChIInChI=1S/C18H25N5O2.2ClH/c1-12-5-6-15(25-10-9-23-7-3-4-8-23)16-13(12)11-14(21-16)17(24)22(2)18(19)20;;/h5-6,11,21H,3-4,7-10H2,1-2H3,(H3,19,20);2*1H
InChIKeyDAZDLBQBEVWOCM-UHFFFAOYSA-N
XLogP2.76
TPSA98.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamimidoyl-7-[3-(dimethylamino)propoxy]-N-methyl-4-(trifluoromethyl)-1H-indole-2-carboxamide;dihydrochloride
CID 70216179
N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide
CID 54567133
7-[[5-(aminomethyl)thiophen-2-yl]methoxy]-N-carbamimidoyl-N-methyl-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70216170
N-carbamimidoyl-4-chloro-N-methyl-6-[3-(pyrrolidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide
CID 22370147
7-(5-aminothiophen-2-yl)oxy-N-carbamimidoyl-N-methyl-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 54483888
N-carbamimidoyl-N-methyl-6-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70215051
N-carbamimidoyl-N-methyl-6-[[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]oxy]-1H-indole-2-carboxamide
CID 70216765
N-carbamimidoyl-7-[[5-[(dimethylamino)methyl]-3-pyridinyl]oxy]-N-methyl-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70213784
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
4-methyl-2-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 62306797
N'-hydroxy-4-methyl-3-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 107912480
7-(3-aminopropoxy)-N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-1H-indole-2-carboxamide;N-(N'-methylcarbamimidoyl)-4-propan-2-yloxy-6-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide
CID 160589757

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride (CID 70213785) is N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)N(C)C(=O)c1cc2c(C)ccc(OCCN3CCCC3)c2[nH]1.
What is the InChIKey of N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is DAZDLBQBEVWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.2ClH/c1-12-5-6-15(25-10-9-23-7-3-4-8-23)16-13(12)11-14(21-16)17(24)22(2)18(19)20;;/h5-6,11,21H,3-4,7-10H2,1-2H3,(H3,19,20);2*1H.
What are the key properties of N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride?
N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 70213785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).