N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride

C20H24ClN3O — CID 45262899

IUPACN-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride
SMILESCN(C)CCCCNC(=O)c1cccc2c1ncc1ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)13-6-5-12-21-20(24)18-11-7-10-17-16-9-4-3-8-15(16)14-22-19(17)18;/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,21,24);1H
InChIKeyJCNFSHCNRKRWBZ-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.88
Rot. Bonds6

About N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride

N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride (PubChem CID 45262899) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride
PubChem CID45262899
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride
SMILESCN(C)CCCCNC(=O)c1cccc2c1ncc1ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)13-6-5-12-21-20(24)18-11-7-10-17-16-9-4-3-8-15(16)14-22-19(17)18;/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,21,24);1H
InChIKeyJCNFSHCNRKRWBZ-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride (CID 45262899) is N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride is CN(C)CCCCNC(=O)c1cccc2c1ncc1ccccc12.Cl.
What is the InChIKey of N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride?
The InChIKey is JCNFSHCNRKRWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-23(2)13-6-5-12-21-20(24)18-11-7-10-17-16-9-4-3-8-15(16)14-22-19(17)18;/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride?
N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]phenanthridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 45262899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).