2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

C18H17N3O — CID 18107562

IUPAC2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccccn3)c2c1
InChIInChI=1S/C18H17N3O/c1-12-6-7-17-15(9-12)16(10-13(2)21-17)18(22)20-11-14-5-3-4-8-19-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyRHAQCUHBHAAGCV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.18
Rot. Bonds3

About 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 18107562) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
PubChem CID18107562
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCc3ccccn3)c2c1
InChIInChI=1S/C18H17N3O/c1-12-6-7-17-15(9-12)16(10-13(2)21-17)18(22)20-11-14-5-3-4-8-19-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyRHAQCUHBHAAGCV-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349002
N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide (CID 18107562) is 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCc3ccccn3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is RHAQCUHBHAAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-6-7-17-15(9-12)16(10-13(2)21-17)18(22)20-11-14-5-3-4-8-19-14/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide?
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 18107562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).