4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide

C13H24N4O — CID 61139515

IUPAC4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)N(C)C
InChIInChI=1S/C13H24N4O/c1-5-6-17-9-11(14)7-12(17)13(18)15-8-10(2)16(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,18)
InChIKeyJJKAZJQYACZOIA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61139515) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
PubChem CID61139515
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)N(C)C
InChIInChI=1S/C13H24N4O/c1-5-6-17-9-11(14)7-12(17)13(18)15-8-10(2)16(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,18)
InChIKeyJJKAZJQYACZOIA-UHFFFAOYSA-N
XLogP1.16
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-1-propylpyrrole-2-carboxamide
CID 61476569
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide (CID 61139515) is 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC(C)N(C)C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is JJKAZJQYACZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-17-9-11(14)7-12(17)13(18)15-8-10(2)16(3)4/h7,9-10H,5-6,8,14H2,1-4H3,(H,15,18).
What are the key properties of 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61139515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).