4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide

C12H15N5O2 — CID 106391502

IUPAC4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ncno2)n(C2CC2)c1
InChIInChI=1S/C12H15N5O2/c13-8-5-10(17(6-8)9-1-2-9)12(18)14-4-3-11-15-7-16-19-11/h5-7,9H,1-4,13H2,(H,14,18)
InChIKeyJIOZENXFGRZJLD-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.76
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 106391502) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID106391502
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ncno2)n(C2CC2)c1
InChIInChI=1S/C12H15N5O2/c13-8-5-10(17(6-8)9-1-2-9)12(18)14-4-3-11-15-7-16-19-11/h5-7,9H,1-4,13H2,(H,14,18)
InChIKeyJIOZENXFGRZJLD-UHFFFAOYSA-N
XLogP0.76
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 150477
N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxamide
CID 44420525
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
CID 44454487
N-[5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
CID 44589530
N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylimidazole-2-carboxamide
CID 52949767
N-(3-amino-3-imino-propyl)-4-[[4-[(2-guanidinoacetyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carboxamide
CID 175884
4-Amino-N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride
CID 150476

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 106391502) is 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide is Nc1cc(C(=O)NCCc2ncno2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is JIOZENXFGRZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c13-8-5-10(17(6-8)9-1-2-9)12(18)14-4-3-11-15-7-16-19-11/h5-7,9H,1-4,13H2,(H,14,18).
What are the key properties of 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106391502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).