4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide

C15H19N3O2 — CID 61102561

IUPAC4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C15H19N3O2/c1-18-9-13(16)7-14(18)15(19)17-8-11-5-3-4-6-12(11)10-20-2/h3-7,9H,8,10,16H2,1-2H3,(H,17,19)
InChIKeyIQWCFTAUJGQGJO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.68
Rot. Bonds5

About 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61102561) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID61102561
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(N)cn1C
InChIInChI=1S/C15H19N3O2/c1-18-9-13(16)7-14(18)15(19)17-8-11-5-3-4-6-12(11)10-20-2/h3-7,9H,8,10,16H2,1-2H3,(H,17,19)
InChIKeyIQWCFTAUJGQGJO-UHFFFAOYSA-N
XLogP1.68
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317
N-[[2-(methoxymethyl)phenyl]methyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 32604397
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
N-[[4-amino-2-(methoxymethyl)pyrimidin-5-yl]methyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 122158451
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
N-[[2-(aminomethyl)phenyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 62950260

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide (CID 61102561) is 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide is COCc1ccccc1CNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IQWCFTAUJGQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-9-13(16)7-14(18)15(19)17-8-11-5-3-4-6-12(11)10-20-2/h3-7,9H,8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61102561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).