2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide

C24H28N4O — CID 25156752

IUPAC2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O
InChIInChI=1S/C24H28N4O/c1-15-5-4-11-28(15)12-10-18-6-8-22-19(13-18)7-9-23(27-22)20-14-21(24(25)29)17(3)26-16(20)2/h6-9,13-15H,4-5,10-12H2,1-3H3,(H2,25,29)/t15-/m1/s1
InChIKeyCPBHHACTFPYERR-OAHLLOKOSA-N
MW388.52 g/mol
LogP4.04
Rot. Bonds5

About 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide

2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide (PubChem CID 25156752) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide
PubChem CID25156752
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O
InChIInChI=1S/C24H28N4O/c1-15-5-4-11-28(15)12-10-18-6-8-22-19(13-18)7-9-23(27-22)20-14-21(24(25)29)17(3)26-16(20)2/h6-9,13-15H,4-5,10-12H2,1-3H3,(H2,25,29)/t15-/m1/s1
InChIKeyCPBHHACTFPYERR-OAHLLOKOSA-N
XLogP4.04
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide (CID 25156752) is 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide is Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O.
What is the InChIKey of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide?
The InChIKey is CPBHHACTFPYERR-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-5-4-11-28(15)12-10-18-6-8-22-19(13-18)7-9-23(27-22)20-14-21(24(25)29)17(3)26-16(20)2/h6-9,13-15H,4-5,10-12H2,1-3H3,(H2,25,29)/t15-/m1/s1.
What are the key properties of 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide?
2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25156752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).