N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide

C20H19N5O — CID 53382960

IUPACN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1
InChIInChI=1S/C20H19N5O/c1-13-9-14(2)17-11-16(12-21)19(25-18(17)10-13)23-7-8-24-20(26)15-3-5-22-6-4-15/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHEFELIQQRRHSB-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.96
Rot. Bonds5

About N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide

N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (PubChem CID 53382960) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
PubChem CID53382960
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1
InChIInChI=1S/C20H19N5O/c1-13-9-14(2)17-11-16(12-21)19(25-18(17)10-13)23-7-8-24-20(26)15-3-5-22-6-4-15/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHEFELIQQRRHSB-UHFFFAOYSA-N
XLogP2.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide (CID 53382960) is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1.
What is the InChIKey of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
The InChIKey is NHEFELIQQRRHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-9-14(2)17-11-16(12-21)19(25-18(17)10-13)23-7-8-24-20(26)15-3-5-22-6-4-15/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide?
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 53382960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).