4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide

C8H13N3O2 — CID 43643618

IUPAC4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESCC(O)CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)3-11-8(13)7-2-6(9)4-10-7/h2,4-5,10,12H,3,9H2,1H3,(H,11,13)
InChIKeyBXDBYFYOJMSBFS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.29
Rot. Bonds3

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

4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide (PubChem CID 43643618) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
PubChem CID43643618
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
SMILESCC(O)CNC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(12)3-11-8(13)7-2-6(9)4-10-7/h2,4-5,10,12H,3,9H2,1H3,(H,11,13)
InChIKeyBXDBYFYOJMSBFS-UHFFFAOYSA-N
XLogP-0.29
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
4-amino-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 113404969
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
1-(4-amino-1H-pyrrol-2-yl)-2-methylpropan-1-one
CID 131275798
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107410962
4-ethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 142183525

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide (CID 43643618) is 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide is CC(O)CNC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BXDBYFYOJMSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(12)3-11-8(13)7-2-6(9)4-10-7/h2,4-5,10,12H,3,9H2,1H3,(H,11,13).
What are the key properties of 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).