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

C19H20N4O — CID 3213301

IUPACN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2nc(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)
InChIKeyHYNCAMOVAMNPOD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.09
Rot. Bonds5

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

N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 3213301) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID3213301
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1ccc2nc(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)
InChIKeyHYNCAMOVAMNPOD-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (CID 3213301) is N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is Cc1ccc2nc(NCCNC(=O)c3ccncc3)c(C)cc2c1.
What is the InChIKey of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is HYNCAMOVAMNPOD-UHFFFAOYSA-N. 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).
What are the key properties of N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,6-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 3213301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).