6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid

C16H18N2O3 — CID 122054452

IUPAC6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccc(OC)cc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H18N2O3/c1-3-18(11-12-7-9-13(21-2)10-8-12)15-6-4-5-14(17-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyGBMMRRYRJYXPRV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds6

About 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid

6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid (PubChem CID 122054452) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
PubChem CID122054452
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccc(OC)cc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C16H18N2O3/c1-3-18(11-12-7-9-13(21-2)10-8-12)15-6-4-5-14(17-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyGBMMRRYRJYXPRV-UHFFFAOYSA-N
XLogP2.81
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
CID 64588400
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170357019
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
6-[benzyl(ethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109157538
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
N,N-diethyl-6-methoxypyridin-2-amine
CID 118576477
1-[ethyl-(6-methoxy-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79390079
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
CID 133421291

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid (CID 122054452) is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid is CCN(Cc1ccc(OC)cc1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is GBMMRRYRJYXPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(11-12-7-9-13(21-2)10-8-12)15-6-4-5-14(17-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid?
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).