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

C20H19N5O — CID 53382959

IUPACN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccnc3)nc2c1
InChIInChI=1S/C20H19N5O/c1-13-8-14(2)17-10-16(11-21)19(25-18(17)9-13)23-6-7-24-20(26)15-4-3-5-22-12-15/h3-5,8-10,12H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRUXAWWDGRQWQHO-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.96
Rot. Bonds5

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

N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 53382959) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID53382959
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccnc3)nc2c1
InChIInChI=1S/C20H19N5O/c1-13-8-14(2)17-10-16(11-21)19(25-18(17)9-13)23-6-7-24-20(26)15-4-3-5-22-12-15/h3-5,8-10,12H,6-7H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRUXAWWDGRQWQHO-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-3-carboxamide?
The IUPAC name of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide (CID 53382959) is N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide is Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3cccnc3)nc2c1.
What is the InChIKey of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is RUXAWWDGRQWQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-14(2)17-10-16(11-21)19(25-18(17)9-13)23-6-7-24-20(26)15-4-3-5-22-12-15/h3-5,8-10,12H,6-7H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 53382959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).