4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide

C15H17N3O2 — CID 107699264

IUPAC4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1O
InChIInChI=1S/C15H17N3O2/c1-9-2-3-11(7-14(9)19)17-15(20)13-6-10(16)8-18(13)12-4-5-12/h2-3,6-8,12,19H,4-5,16H2,1H3,(H,17,20)
InChIKeyLBMYJUZRKQVVFM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide (PubChem CID 107699264) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
PubChem CID107699264
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1O
InChIInChI=1S/C15H17N3O2/c1-9-2-3-11(7-14(9)19)17-15(20)13-6-10(16)8-18(13)12-4-5-12/h2-3,6-8,12,19H,4-5,16H2,1H3,(H,17,20)
InChIKeyLBMYJUZRKQVVFM-UHFFFAOYSA-N
XLogP2.67
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide (CID 107699264) is 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(N)cn2C2CC2)cc1O.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide?
The InChIKey is LBMYJUZRKQVVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-2-3-11(7-14(9)19)17-15(20)13-6-10(16)8-18(13)12-4-5-12/h2-3,6-8,12,19H,4-5,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107699264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).