3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid

C16H18N2O2 — CID 102823192

IUPAC3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
SMILESCCN(Cc1cccc(C)n1)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H18N2O2/c1-3-18(11-14-8-4-6-12(2)17-14)15-9-5-7-13(10-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyBIGRDDRQWZDAHH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.11
Rot. Bonds5

About 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid

3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid (PubChem CID 102823192) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
PubChem CID102823192
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
SMILESCCN(Cc1cccc(C)n1)c1cccc(C(=O)O)c1
InChIInChI=1S/C16H18N2O2/c1-3-18(11-14-8-4-6-12(2)17-14)15-9-5-7-13(10-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyBIGRDDRQWZDAHH-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]benzoic acid
CID 102823020
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
CID 80517126
3-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 102822991
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
3-(dihexylamino)benzoic acid
CID 139785875
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115686651
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 83128125
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzoic acid
CID 102822761

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid?
The IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid (CID 102823192) is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid.
What is the SMILES notation for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid?
The canonical SMILES for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid is CCN(Cc1cccc(C)n1)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid?
The InChIKey is BIGRDDRQWZDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-18(11-14-8-4-6-12(2)17-14)15-9-5-7-13(10-15)16(19)20/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid?
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid is sourced from PubChem (CID 102823192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).