6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid

C18H23N3O2 — CID 122057437

IUPAC6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccccc1C(C(C)Nc1cccc(C(=O)O)n1)N(C)C
InChIInChI=1S/C18H23N3O2/c1-12-8-5-6-9-14(12)17(21(3)4)13(2)19-16-11-7-10-15(20-16)18(22)23/h5-11,13,17H,1-4H3,(H,19,20)(H,22,23)
InChIKeyKNLVEBBQDYHYKW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.19
Rot. Bonds6

About 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid

6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122057437) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID122057437
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCc1ccccc1C(C(C)Nc1cccc(C(=O)O)n1)N(C)C
InChIInChI=1S/C18H23N3O2/c1-12-8-5-6-9-14(12)17(21(3)4)13(2)19-16-11-7-10-15(20-16)18(22)23/h5-11,13,17H,1-4H3,(H,19,20)(H,22,23)
InChIKeyKNLVEBBQDYHYKW-UHFFFAOYSA-N
XLogP3.19
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
6-[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-4-methylpyridine-2-carboxylic acid
CID 117614487
6-[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methylpyridine-2-carboxylic acid
CID 122181977
US10513493, Example 20
CID 118301993
2-(2,2-difluorocyclopropyl)-N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)benz-amide
CID 121416808
2-{[(6-Methyl-2-pyridinyl)amino]carbonyl}benzoic acid
CID 768869
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
2-cyclopropyl-N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)benz-amide
CID 121416814
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylic acid hydrochloride
CID 57444906
6-(Methylamino)pyridine-2-carboxylic acid
CID 62253567
7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 67907967

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid (CID 122057437) is 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid is Cc1ccccc1C(C(C)Nc1cccc(C(=O)O)n1)N(C)C.
What is the InChIKey of 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is KNLVEBBQDYHYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-8-5-6-9-14(12)17(21(3)4)13(2)19-16-11-7-10-15(20-16)18(22)23/h5-11,13,17H,1-4H3,(H,19,20)(H,22,23).
What are the key properties of 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid?
6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).