4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide

C12H22N4O — CID 43642296

IUPAC4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)7-5-6-14-12(17)11-8-10(13)9-15-11/h8-9,15H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyMWUPOQLIZJDDMK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds7

About 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide

4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 43642296) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
PubChem CID43642296
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H22N4O/c1-3-16(4-2)7-5-6-14-12(17)11-8-10(13)9-15-11/h8-9,15H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyMWUPOQLIZJDDMK-UHFFFAOYSA-N
XLogP1.06
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
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-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide (CID 43642296) is 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide is CCN(CC)CCCNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MWUPOQLIZJDDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-16(4-2)7-5-6-14-12(17)11-8-10(13)9-15-11/h8-9,15H,3-7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).