6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid

C20H19N3O2 — CID 58106976

IUPAC6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
SMILESCC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,25)
InChIKeySGVIOILUTCLSDH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.09
Rot. Bonds5

About 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid

6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid (PubChem CID 58106976) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
PubChem CID58106976
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid
SMILESCC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,25)
InChIKeySGVIOILUTCLSDH-UHFFFAOYSA-N
XLogP4.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
CID 146294484
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233
6-(dimethylaminocarbamoyl)pyridine-2-carboxylic acid
CID 83023717
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[2,3-diamino-1-(6-carboxy-2-pyridinyl)propyl]pyridine-2-carboxylic acid
CID 67372478
CID 91986542
CID 91986542
2-O-[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 6-O-[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 29248727
bis(6-propan-2-yl-2-pyridinyl)methanone
CID 150446878

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid (CID 58106976) is 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid is CC(c1cccc(C(=O)O)n1)c1cccc(N(C)c2ccccc2)n1.
What is the InChIKey of 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
The InChIKey is SGVIOILUTCLSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14(16-10-6-12-18(21-16)20(24)25)17-11-7-13-19(22-17)23(2)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,24,25).
What are the key properties of 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid?
6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(N-methylanilino)-2-pyridinyl]ethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 58106976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).