N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide

C22H18N4O — CID 58154640

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)c1
InChIInChI=1S/C22H18N4O/c1-14-11-15(2)24-20(12-14)26-22(27)18-7-3-5-16-8-9-19(25-21(16)18)17-6-4-10-23-13-17/h3-13H,1-2H3,(H,24,26,27)
InChIKeyPCBGCXWEZUTCAJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.56
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide (PubChem CID 58154640) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide
PubChem CID58154640
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)c1
InChIInChI=1S/C22H18N4O/c1-14-11-15(2)24-20(12-14)26-22(27)18-7-3-5-16-8-9-19(25-21(16)18)17-6-4-10-23-13-17/h3-13H,1-2H3,(H,24,26,27)
InChIKeyPCBGCXWEZUTCAJ-UHFFFAOYSA-N
XLogP4.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114931889
8-methyl-2-pyridin-3-ylquinoline
CID 125496977
ethane;6-methyl-N-(6-pyridin-3-yl-2-pyridinyl)pyridine-2-carboxamide
CID 143094222
3-amino-2-bromo-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 114931712
2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
CID 167757416
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 155910501
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 17371985
N,2-bis(4-aminophenyl)quinoline-8-carboxamide
CID 162143606

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide (CID 58154640) is N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide is Cc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccnc4)nc23)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide?
The InChIKey is PCBGCXWEZUTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-11-15(2)24-20(12-14)26-22(27)18-7-3-5-16-8-9-19(25-21(16)18)17-6-4-10-23-13-17/h3-13H,1-2H3,(H,24,26,27).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide is sourced from PubChem (CID 58154640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).