N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide

C19H21N4O+ — CID 7402621

IUPACN-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2[nH+]c(NCCNC(=O)c3ccncc3)c(C)cc2c1
InChIInChI=1S/C19H20N4O/c1-13-3-4-17-16(11-13)12-14(2)18(23-17)21-9-10-22-19(24)15-5-7-20-8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)/p+1
InChIKeyHYNCAMOVAMNPOD-UHFFFAOYSA-O
MW321.40 g/mol
LogP2.51
Rot. Bonds5

About N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 7402621) has the molecular formula C19H21N4O+ and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID7402621
Molecular FormulaC19H21N4O+
Molecular Weight321.40 g/mol
Exact Mass321.17
IUPAC NameN-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2[nH+]c(NCCNC(=O)c3ccncc3)c(C)cc2c1
InChIInChI=1S/C19H20N4O/c1-13-3-4-17-16(11-13)12-14(2)18(23-17)21-9-10-22-19(24)15-5-7-20-8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)/p+1
InChIKeyHYNCAMOVAMNPOD-UHFFFAOYSA-O
XLogP2.51
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 3213301
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
N-[2-[(3-cyano-6-methylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 44754246
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 7402612
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
N-butylpyridine-4-carboxamide
CID 5030535
4-tert-butyl-N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]benzamide
CID 7434746
N-[2-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]pyridine-4-carboxamide
CID 56907672
N-[2-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]ethyl]acetamide
CID 7434726
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide (CID 7402621) is N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide is Cc1ccc2[nH+]c(NCCNC(=O)c3ccncc3)c(C)cc2c1.
What is the InChIKey of N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is HYNCAMOVAMNPOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N4O/c1-13-3-4-17-16(11-13)12-14(2)18(23-17)21-9-10-22-19(24)15-5-7-20-8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,22,24)/p+1.
What are the key properties of N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 7402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).