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

C14H17N3O2 — CID 62378932

IUPAC4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c15-11-9-13(17-10-11)14(18)16-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10,17H,4,7-8,15H2,(H,16,18)
InChIKeyAPXLSJRKWDZHPW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds6

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

4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 62378932) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID62378932
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCCOc2ccccc2)c1
InChIInChI=1S/C14H17N3O2/c15-11-9-13(17-10-11)14(18)16-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10,17H,4,7-8,15H2,(H,16,18)
InChIKeyAPXLSJRKWDZHPW-UHFFFAOYSA-N
XLogP1.80
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
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-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
2,5-dihydroxy-N-(3-phenoxypropyl)benzamide
CID 107722899

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide (CID 62378932) is 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCCCOc2ccccc2)c1.
What is the InChIKey of 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is APXLSJRKWDZHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-9-13(17-10-11)14(18)16-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10,17H,4,7-8,15H2,(H,16,18).
What are the key properties of 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62378932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).