N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

C12H18BrN3O — CID 63193983

IUPACN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H18BrN3O/c1-12(2,7-14)15-11(17)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyJYCGJQSDYGDDNO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.05
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 63193983) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
PubChem CID63193983
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)(CN)NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H18BrN3O/c1-12(2,7-14)15-11(17)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyJYCGJQSDYGDDNO-UHFFFAOYSA-N
XLogP2.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide (CID 63193983) is N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is CC(C)(CN)NC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is JYCGJQSDYGDDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-12(2,7-14)15-11(17)10-5-8(13)6-16(10)9-3-4-9/h5-6,9H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 63193983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).