N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide

C12H20BrN3O — CID 65191144

IUPACN-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCCC(CN)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C12H20BrN3O/c1-3-5-10(7-14)15-12(17)11-6-9(13)8-16(11)4-2/h6,8,10H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyGMISSGFCGVAKAP-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.13
Rot. Bonds6

About N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide

N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide (PubChem CID 65191144) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
PubChem CID65191144
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC NameN-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCCC(CN)NC(=O)c1cc(Br)cn1CC
InChIInChI=1S/C12H20BrN3O/c1-3-5-10(7-14)15-12(17)11-6-9(13)8-16(11)4-2/h6,8,10H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyGMISSGFCGVAKAP-UHFFFAOYSA-N
XLogP2.13
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120508288
4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
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4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
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4-bromo-N-(1-hydroxypentan-3-yl)-1-propylpyrrole-2-carboxamide
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2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832158
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
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2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
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CID 63529149

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide (CID 65191144) is N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide is CCCC(CN)NC(=O)c1cc(Br)cn1CC.
What is the InChIKey of N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
The InChIKey is GMISSGFCGVAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-5-10(7-14)15-12(17)11-6-9(13)8-16(11)4-2/h6,8,10H,3-5,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide?
N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide has a molecular weight of 302.22 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 65191144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).