N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide

C13H15N3O3 — CID 3739273

IUPACN-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2C)c(OC)n1
InChIInChI=1S/C13H15N3O3/c1-16-8-4-5-10(16)12(17)14-9-6-7-11(18-2)15-13(9)19-3/h4-8H,1-3H3,(H,14,17)
InChIKeyJNAZGEGKANVZKX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.69
Rot. Bonds4

About N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide

N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide (PubChem CID 3739273) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide
PubChem CID3739273
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2C)c(OC)n1
InChIInChI=1S/C13H15N3O3/c1-16-8-4-5-10(16)12(17)14-9-6-7-11(18-2)15-13(9)19-3/h4-8H,1-3H3,(H,14,17)
InChIKeyJNAZGEGKANVZKX-UHFFFAOYSA-N
XLogP1.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
N-[2-(4-methoxy-2-methylanilino)phenyl]-1-methylpyrrole-2-carboxamide
CID 86590635
methyl 4-iodo-3-[(1-methylpyrrole-2-carbonyl)amino]benzoate
CID 168957425
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304021
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
4-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-sulfamoylbenzamide
CID 25046045
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide (CID 3739273) is N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2C)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is JNAZGEGKANVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-8-4-5-10(16)12(17)14-9-6-7-11(18-2)15-13(9)19-3/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide?
N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 3739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).