(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate

C15H16N2O2 — CID 102878370

IUPAC(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
SMILESCc1cncc(COC(=O)c2cc(N)ccc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-12(8-17-7-10)9-19-15(18)14-6-13(16)4-3-11(14)2/h3-8H,9,16H2,1-2H3
InChIKeyNMYNMDQNAFSMQM-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.64
Rot. Bonds3

About (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate

(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate (PubChem CID 102878370) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
PubChem CID102878370
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate
SMILESCc1cncc(COC(=O)c2cc(N)ccc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-5-12(8-17-7-10)9-19-15(18)14-6-13(16)4-3-11(14)2/h3-8H,9,16H2,1-2H3
InChIKeyNMYNMDQNAFSMQM-UHFFFAOYSA-N
XLogP2.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-3-pyridinyl)methyl 5-amino-2-methoxybenzoate
CID 102878333
(4-iodophenyl)methyl 5-amino-2-methylbenzoate
CID 65477126
(5-methyl-3-pyridinyl)methyl 2-amino-5-methoxybenzoate
CID 102878358
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
(5-methyl-3-pyridinyl)methyl 5-amino-2,4-difluorobenzoate
CID 102878379
(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
CID 102878407
2-methyl-5-[(5-methylpyridine-3-carbonyl)oxymethyl]benzoic acid
CID 129153326
(3-chloro-4-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 103040742
(3-bromo-5-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 79708511
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
3-(5-amino-2-methylbenzoyl)oxypropanoic acid
CID 63950145

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate?
The IUPAC name of (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate (CID 102878370) is (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate.
What is the SMILES notation for (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate?
The canonical SMILES for (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate is Cc1cncc(COC(=O)c2cc(N)ccc2C)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate?
The InChIKey is NMYNMDQNAFSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-5-12(8-17-7-10)9-19-15(18)14-6-13(16)4-3-11(14)2/h3-8H,9,16H2,1-2H3.
What are the key properties of (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate?
(5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate has a molecular weight of 256.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)methyl 5-amino-2-methylbenzoate is sourced from PubChem (CID 102878370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).