N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C23H20ClN5O — CID 1383900

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3cnccn3)cc2c1
InChIInChI=1S/C23H20ClN5O/c1-15-8-16(2)21-18(9-15)10-19(22(24)28-21)14-29(13-17-4-3-5-25-11-17)23(30)20-12-26-6-7-27-20/h3-12H,13-14H2,1-2H3
InChIKeyOXGMEWYQRZWYGS-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.53
Rot. Bonds5

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 1383900) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID1383900
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3cnccn3)cc2c1
InChIInChI=1S/C23H20ClN5O/c1-15-8-16(2)21-18(9-15)10-19(22(24)28-21)14-29(13-17-4-3-5-25-11-17)23(30)20-12-26-6-7-27-20/h3-12H,13-14H2,1-2H3
InChIKeyOXGMEWYQRZWYGS-UHFFFAOYSA-N
XLogP4.53
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43813584
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 43813583
1-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 43968301
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-3-(2-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 3216893
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 43813615
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
1-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 1459942
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
CID 3219509
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)urea
CID 3216920

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 1383900) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3cnccn3)cc2c1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is OXGMEWYQRZWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-15-8-16(2)21-18(9-15)10-19(22(24)28-21)14-29(13-17-4-3-5-25-11-17)23(30)20-12-26-6-7-27-20/h3-12H,13-14H2,1-2H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1383900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).