N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide

C13H19N3O3 — CID 62020048

IUPACN-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C13H19N3O3/c1-15-6-2-3-11(15)13(19)14-12(18)9-16(7-8-17)10-4-5-10/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,14,18,19)
InChIKeyJMFAIUGAWRCDFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.26
Rot. Bonds6

About N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide

N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide (PubChem CID 62020048) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide
PubChem CID62020048
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C13H19N3O3/c1-15-6-2-3-11(15)13(19)14-12(18)9-16(7-8-17)10-4-5-10/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,14,18,19)
InChIKeyJMFAIUGAWRCDFQ-UHFFFAOYSA-N
XLogP-0.26
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide (CID 62020048) is N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC(=O)CN(CCO)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is JMFAIUGAWRCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-6-2-3-11(15)13(19)14-12(18)9-16(7-8-17)10-4-5-10/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,14,18,19).
What are the key properties of N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide?
N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 62020048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).