(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate

C14H15N3O2 — CID 112651177

IUPAC(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1cccnc1COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-16-13(9)8-19-14(18)12-6-11(15)7-17-10(12)2/h3-7H,8,15H2,1-2H3
InChIKeyIUDNFCTYXJNCJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds3

About (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate

(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 112651177) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID112651177
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1cccnc1COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H15N3O2/c1-9-4-3-5-16-13(9)8-19-14(18)12-6-11(15)7-17-10(12)2/h3-7H,8,15H2,1-2H3
InChIKeyIUDNFCTYXJNCJX-UHFFFAOYSA-N
XLogP2.03
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methyl-2-pyridinyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103897833
(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 112550182
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
thiophen-3-ylmethyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323017
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323202
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
(3-methyl-2-pyridinyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 115982388
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
2-pyrazol-1-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 54961483
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate (CID 112651177) is (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate is Cc1cccnc1COC(=O)c1cc(N)cnc1C.
What is the InChIKey of (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is IUDNFCTYXJNCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-3-5-16-13(9)8-19-14(18)12-6-11(15)7-17-10(12)2/h3-7H,8,15H2,1-2H3.
What are the key properties of (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate?
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 112651177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).