methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate

C16H19N3O2 — CID 43784170

IUPACmethyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1cccnc1N(C)C
InChIInChI=1S/C16H19N3O2/c1-19(2)15-14(9-6-10-17-15)18-11-12-7-4-5-8-13(12)16(20)21-3/h4-10,18H,11H2,1-3H3
InChIKeyAHPNVCFESUSKBS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds5

About methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate

methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate (PubChem CID 43784170) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
PubChem CID43784170
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1cccnc1N(C)C
InChIInChI=1S/C16H19N3O2/c1-19(2)15-14(9-6-10-17-15)18-11-12-7-4-5-8-13(12)16(20)21-3/h4-10,18H,11H2,1-3H3
InChIKeyAHPNVCFESUSKBS-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707640
methyl 2-[(3-hydroxy-2,4-dimethylanilino)methyl]benzoate
CID 43790151
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate
CID 43772733
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
methyl 2-[(2-bromo-3-fluoro-4-pyridinyl)methylamino]benzoate
CID 166066421
methyl 5-cyano-2-[[2-(dimethylcarbamoyl)anilino]methyl]benzoate
CID 126485473
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate (CID 43784170) is methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate is COC(=O)c1ccccc1CNc1cccnc1N(C)C.
What is the InChIKey of methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate?
The InChIKey is AHPNVCFESUSKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)15-14(9-6-10-17-15)18-11-12-7-4-5-8-13(12)16(20)21-3/h4-10,18H,11H2,1-3H3.
What are the key properties of methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate?
methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate has a molecular weight of 285.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate is sourced from PubChem (CID 43784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).