4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide

C10H17N3O2 — CID 62984456

IUPAC4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCOCCCN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-13(4-3-5-15-2)10(14)9-6-8(11)7-12-9/h6-7,12H,3-5,11H2,1-2H3
InChIKeySEFMZVGLZMDMLX-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.71
Rot. Bonds5

About 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 62984456) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID62984456
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCOCCCN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-13(4-3-5-15-2)10(14)9-6-8(11)7-12-9/h6-7,12H,3-5,11H2,1-2H3
InChIKeySEFMZVGLZMDMLX-UHFFFAOYSA-N
XLogP0.71
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
4-amino-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrrole-2-carboxamide
CID 61108846
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986
4-amino-1-ethyl-N-(3-methoxypropyl)-N-methylpyrrole-2-carboxamide
CID 62984457
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
N-(3-methoxypropyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337377
4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61113939
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 62984456) is 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide is COCCCN(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is SEFMZVGLZMDMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13(4-3-5-15-2)10(14)9-6-8(11)7-12-9/h6-7,12H,3-5,11H2,1-2H3.
What are the key properties of 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62984456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).