5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid

C21H23N3O2 — CID 99934998

IUPAC5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(C#N)cc1C(=O)O
InChIInChI=1S/C21H23N3O2/c1-14-19(21(25)26)12-18(13-22)20(23-14)17-8-6-16(7-9-17)15(2)24-10-4-3-5-11-24/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyKZZBTGZLBMHDQT-HNNXBMFYSA-N
MW349.43 g/mol
LogP4.17
Rot. Bonds4

About 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid

5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 99934998) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid
PubChem CID99934998
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(C#N)cc1C(=O)O
InChIInChI=1S/C21H23N3O2/c1-14-19(21(25)26)12-18(13-22)20(23-14)17-8-6-16(7-9-17)15(2)24-10-4-3-5-11-24/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,25,26)/t15-/m0/s1
InChIKeyKZZBTGZLBMHDQT-HNNXBMFYSA-N
XLogP4.17
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]pyrazine-2-carbonitrile
CID 95130733
1,3-dimethyl-4-[4-(1-piperidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122568378
6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885
ethyl 6-(4-chlorophenyl)-5-cyano-2-methylpyridine-3-carboxylate
CID 123633376
N,N-dimethyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-2-carboxamide
CID 99952412
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
2-[3-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,4-triazol-1-yl]acetic acid
CID 125440785
5-cyano-2-methyl-6-(4-methyl-2-pyrazol-1-ylphenyl)pyridine-3-carboxylic acid
CID 122564846
piperidin-1-yl-[4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]methanone
CID 97438053
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
CID 97436737
2-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]propanoic acid
CID 125434955

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid (CID 99934998) is 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid is Cc1nc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(C#N)cc1C(=O)O.
What is the InChIKey of 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is KZZBTGZLBMHDQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-19(21(25)26)12-18(13-22)20(23-14)17-8-6-16(7-9-17)15(2)24-10-4-3-5-11-24/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid?
5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 349.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 99934998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).