4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide

C10H17N3O2 — CID 104758195

IUPAC4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)OCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)15-4-3-12-10(14)9-5-8(11)6-13-9/h5-7,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyKUXCIRZLIITUIL-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.75
Rot. Bonds5

About 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 104758195) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID104758195
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)OCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-7(2)15-4-3-12-10(14)9-5-8(11)6-13-9/h5-7,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyKUXCIRZLIITUIL-UHFFFAOYSA-N
XLogP0.75
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
2-amino-6-methyl-N-(2-propan-2-yloxyethyl)pyrimidine-4-carboxamide
CID 114220427
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 61213141
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide (CID 104758195) is 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide is CC(C)OCCNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KUXCIRZLIITUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)15-4-3-12-10(14)9-5-8(11)6-13-9/h5-7,13H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).