N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride

C20H23ClN4O2 — CID 70213699

IUPACN-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cc2cccc(OCCCc3ccccc3)c2[nH]1
InChIInChI=1S/C20H22N4O2.ClH/c1-24(20(21)22)19(25)16-13-15-10-5-11-17(18(15)23-16)26-12-6-9-14-7-3-2-4-8-14;/h2-5,7-8,10-11,13,23H,6,9,12H2,1H3,(H3,21,22);1H
InChIKeyPPLZUCPADVSJPD-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.57
Rot. Bonds6

About N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride

N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 70213699) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride
PubChem CID70213699
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(\N)N(C)C(=O)c1cc2cccc(OCCCc3ccccc3)c2[nH]1
InChIInChI=1S/C20H22N4O2.ClH/c1-24(20(21)22)19(25)16-13-15-10-5-11-17(18(15)23-16)26-12-6-9-14-7-3-2-4-8-14;/h2-5,7-8,10-11,13,23H,6,9,12H2,1H3,(H3,21,22);1H
InChIKeyPPLZUCPADVSJPD-UHFFFAOYSA-N
XLogP3.57
TPSA95.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride 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-(2-hydroxyethoxy)-N-methyl-1H-indole-2-carboxamide
CID 54170991
N-carbamimidoyl-7-[[3-[(dimethylamino)methyl]phenyl]methoxy]-N-methyl-1H-indole-2-carboxamide
CID 54405043
N-carbamimidoyl-N-methyl-7-phenyl-1H-indole-2-carboxamide;hydrochloride
CID 70218074
7-[[5-(aminomethyl)-3-pyridinyl]oxy]-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
CID 70215700
N-carbamimidoyl-N-methyl-7-(2-nitrophenoxy)-1H-indole-2-carboxamide
CID 54045856
7-[5-(aminomethyl)thiophen-2-yl]oxy-N-carbamimidoyl-N-methyl-1H-indole-2-carboxamide
CID 70215965
N-carbamimidoyl-7-[5-[(dimethylamino)methyl]thiophen-2-yl]oxy-N-methyl-1H-indole-2-carboxamide
CID 70215592
N-carbamimidoyl-7-chloro-N-methyl-1H-indole-2-carboxamide
CID 54494173
N-carbamimidoyl-4-chloro-7-(3-hydroxypropoxy)-N-methyl-1H-indole-2-carboxamide;hydrochloride
CID 70213588
7-(3-aminopropoxy)-N-carbamimidoyl-N,4-dimethyl-1H-indole-2-carboxamide;dihydrochloride
CID 70217829
N-carbamimidoyl-7-[3-(dimethylamino)propoxy]-N-methyl-4-(trifluoromethyl)-1H-indole-2-carboxamide;dihydrochloride
CID 70216179
N-carbamimidoyl-N,4-dimethyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carboxamide;dihydrochloride
CID 70213785

Frequently Asked Questions

What is the IUPAC name of N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride (CID 70213699) is N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride is Cl.[H]/N=C(\N)N(C)C(=O)c1cc2cccc(OCCCc3ccccc3)c2[nH]1.
What is the InChIKey of N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is PPLZUCPADVSJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.ClH/c1-24(20(21)22)19(25)16-13-15-10-5-11-17(18(15)23-16)26-12-6-9-14-7-3-2-4-8-14;/h2-5,7-8,10-11,13,23H,6,9,12H2,1H3,(H3,21,22);1H.
What are the key properties of N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride?
N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamimidoyl-N-methyl-7-(3-phenylpropoxy)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 70213699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).