(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate

C13H15N3O2 — CID 112651180

IUPAC(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCc1cccnc1COC(=O)c1cc(N)cn1C
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-15-11(9)8-18-13(17)12-6-10(14)7-16(12)2/h3-7H,8,14H2,1-2H3
InChIKeyQXXSQROJCLMRSQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.67
Rot. Bonds3

About (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate

(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 112651180) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID112651180
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCc1cccnc1COC(=O)c1cc(N)cn1C
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-15-11(9)8-18-13(17)12-6-10(14)7-16(12)2/h3-7H,8,14H2,1-2H3
InChIKeyQXXSQROJCLMRSQ-UHFFFAOYSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322875
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 112550182
(3-methyl-2-pyridinyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103897833
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 115982405
(3-methyl-2-pyridinyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 115982388
(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322696
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
(4-chloro-2-fluorophenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 114857719
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate (CID 112651180) is (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate is Cc1cccnc1COC(=O)c1cc(N)cn1C.
What is the InChIKey of (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is QXXSQROJCLMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-3-5-15-11(9)8-18-13(17)12-6-10(14)7-16(12)2/h3-7H,8,14H2,1-2H3.
What are the key properties of (3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.67, 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 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 112651180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).