N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

C14H20ClN3O — CID 116651942

IUPACN-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)cn1C1CC1)C(CN)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3
InChIKeyIAZJJAWKELTKSD-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.29
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (PubChem CID 116651942) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
PubChem CID116651942
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(Cl)cn1C1CC1)C(CN)C1CC1
InChIInChI=1S/C14H20ClN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3
InChIKeyIAZJJAWKELTKSD-UHFFFAOYSA-N
XLogP2.29
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide (CID 116651942) is N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cc(Cl)cn1C1CC1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
The InChIKey is IAZJJAWKELTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(13(7-16)9-2-3-9)14(19)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11,13H,2-5,7,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 116651942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).