N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide

C15H19IN4O — CID 24879251

IUPACN-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2cncc([125I])c2n1
InChIInChI=1S/C15H19IN4O/c1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)/i16-2
InChIKeyBJKQGBVMTWWCOA-RFLHHMENSA-N
MW396.25 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide (PubChem CID 24879251) has the molecular formula C15H19IN4O and a molecular weight of 396.25 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide
PubChem CID24879251
Molecular FormulaC15H19IN4O
Molecular Weight396.25 g/mol
Exact Mass396.06
IUPAC NameN-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2cncc([125I])c2n1
InChIInChI=1S/C15H19IN4O/c1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)/i16-2
InChIKeyBJKQGBVMTWWCOA-RFLHHMENSA-N
XLogP2.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19264128
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
N-[2-[ethyl(2-fluoroethyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide;hydrochloride
CID 73350413
N-[2-[ethyl(propyl)amino]ethyl]-6-(125I)iodoquinoxaline-2-carboxamide
CID 158106861
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
N-[2-(diethylamino)ethyl]-5-methylisoquinoline-3-carboxamide;ethane
CID 143617083
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
N-[2-(diethylamino)ethyl]-6-(131I)iodoquinoxaline-2-carboxamide;dihydrochloride
CID 90664604
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide (CID 24879251) is N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide is CCN(CC)CCNC(=O)c1ccc2cncc([125I])c2n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide?
The InChIKey is BJKQGBVMTWWCOA-RFLHHMENSA-N. The full InChI is InChI=1S/C15H19IN4O/c1-3-20(4-2)8-7-18-15(21)13-6-5-11-9-17-10-12(16)14(11)19-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,21)/i16-2.
What are the key properties of N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide has a molecular weight of 396.25 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-8-(125I)iodo-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 24879251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).