N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

C22H25N3O — CID 899137

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1
InChIInChI=1S/C22H25N3O/c1-14-9-10-18-16(12-14)17(21(26)24-15(2)22(3,4)5)13-20(25-18)19-8-6-7-11-23-19/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1
InChIKeyRYFWAHWGBAEBBN-HNNXBMFYSA-N
MW347.46 g/mol
LogP4.77
Rot. Bonds3

About N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 899137) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID899137
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1
InChIInChI=1S/C22H25N3O/c1-14-9-10-18-16(12-14)17(21(26)24-15(2)22(3,4)5)13-20(25-18)19-8-6-7-11-23-19/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1
InChIKeyRYFWAHWGBAEBBN-HNNXBMFYSA-N
XLogP4.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349002
2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819
2-(2-fluorophenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749910
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220680
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
6-methyl-2-pyridin-2-yl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]quinoline-4-carboxamide
CID 2965391
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2965727

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 899137) is N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)N[C@@H](C)C(C)(C)C)c2c1.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is RYFWAHWGBAEBBN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-9-10-18-16(12-14)17(21(26)24-15(2)22(3,4)5)13-20(25-18)19-8-6-7-11-23-19/h6-13,15H,1-5H3,(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 899137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).