4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide

C11H18N4O2 — CID 61113939

IUPAC4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-4-13-10(16)7-15(2)11(17)9-5-8(12)6-14-9/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeyBWOLNQKJVOYRPP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds5

About 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 61113939) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID61113939
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C11H18N4O2/c1-3-4-13-10(16)7-15(2)11(17)9-5-8(12)6-14-9/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16)
InChIKeyBWOLNQKJVOYRPP-UHFFFAOYSA-N
XLogP0.20
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
3-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808641
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
2-(4-aminopyrazol-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61116168
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide (CID 61113939) is 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide is CCCNC(=O)CN(C)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BWOLNQKJVOYRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-13-10(16)7-15(2)11(17)9-5-8(12)6-14-9/h5-6,14H,3-4,7,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61113939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).