4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide

C10H17N3O2 — CID 43642461

IUPAC4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyPSNDFUUCRBCZLE-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.75
Rot. Bonds6

About 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642461) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID43642461
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
SMILESCCOCCCNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5,11H2,1H3,(H,12,14)
InChIKeyPSNDFUUCRBCZLE-UHFFFAOYSA-N
XLogP0.75
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
2-amino-N-(3-ethoxypropyl)-4-oxo-1H-pyridine-3-carboxamide
CID 167765677
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide (CID 43642461) is 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide is CCOCCCNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PSNDFUUCRBCZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-5-3-4-12-10(14)9-6-8(11)7-13-9/h6-7,13H,2-5,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).