2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide

C13H12N4O — CID 67175667

IUPAC2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc3cc[nH]c3c2)[nH]c1N
InChIInChI=1S/C13H12N4O/c14-12-9(13(15)18)6-11(17-12)8-2-1-7-3-4-16-10(7)5-8/h1-6,16-17H,14H2,(H2,15,18)
InChIKeyVNRCRFVCLDAQKB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.84
Rot. Bonds2

About 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide

2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide (PubChem CID 67175667) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide
PubChem CID67175667
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc3cc[nH]c3c2)[nH]c1N
InChIInChI=1S/C13H12N4O/c14-12-9(13(15)18)6-11(17-12)8-2-1-7-3-4-16-10(7)5-8/h1-6,16-17H,14H2,(H2,15,18)
InChIKeyVNRCRFVCLDAQKB-UHFFFAOYSA-N
XLogP1.84
TPSA100.69 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide (CID 67175667) is 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccc3cc[nH]c3c2)[nH]c1N.
What is the InChIKey of 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is VNRCRFVCLDAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-9(13(15)18)6-11(17-12)8-2-1-7-3-4-16-10(7)5-8/h1-6,16-17H,14H2,(H2,15,18).
What are the key properties of 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide?
2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1H-indol-6-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 67175667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).