4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide

C11H19N5O2 — CID 83107929

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H19N5O2/c1-2-5-16-7-8(12)6-9(16)10(17)14-3-4-15-11(13)18/h6-7H,2-5,12H2,1H3,(H,14,17)(H3,13,15,18)
InChIKeyPYJALERAFNZTPT-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.12
Rot. Bonds6

About 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide

4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 83107929) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID83107929
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H19N5O2/c1-2-5-16-7-8(12)6-9(16)10(17)14-3-4-15-11(13)18/h6-7H,2-5,12H2,1H3,(H,14,17)(H3,13,15,18)
InChIKeyPYJALERAFNZTPT-UHFFFAOYSA-N
XLogP-0.12
TPSA115.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(methylsulfamoyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106332688
4-amino-N-(5-hydroxy-4-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106152159
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-1-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 63238946
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106391701
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-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106413341
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide (CID 83107929) is 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCCNC(N)=O.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is PYJALERAFNZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-5-16-7-8(12)6-9(16)10(17)14-3-4-15-11(13)18/h6-7H,2-5,12H2,1H3,(H,14,17)(H3,13,15,18).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide?
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 83107929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).