5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide

C15H15N3O2 — CID 61127110

IUPAC5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
SMILESN#CCCN(C(=O)c1cc2cc(N)ccc2o1)C1CC1
InChIInChI=1S/C15H15N3O2/c16-6-1-7-18(12-3-4-12)15(19)14-9-10-8-11(17)2-5-13(10)20-14/h2,5,8-9,12H,1,3-4,7,17H2
InChIKeyQXNCTLRNMAWJNR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds4

About 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide

5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide (PubChem CID 61127110) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
PubChem CID61127110
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide
SMILESN#CCCN(C(=O)c1cc2cc(N)ccc2o1)C1CC1
InChIInChI=1S/C15H15N3O2/c16-6-1-7-18(12-3-4-12)15(19)14-9-10-8-11(17)2-5-13(10)20-14/h2,5,8-9,12H,1,3-4,7,17H2
InChIKeyQXNCTLRNMAWJNR-UHFFFAOYSA-N
XLogP2.53
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
3-cyanopropyl 5-amino-1-benzofuran-2-carboxylate
CID 61321172
N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
CID 102872366
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
6-amino-3-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 55041760
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
N-(2-aminoethyl)-N-cyclopentyl-1-benzofuran-2-carboxamide
CID 63754807
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-nitrobenzamide
CID 62162101
3-[(5-bromo-1-benzofuran-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 122146454

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide (CID 61127110) is 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide is N#CCCN(C(=O)c1cc2cc(N)ccc2o1)C1CC1.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide?
The InChIKey is QXNCTLRNMAWJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-6-1-7-18(12-3-4-12)15(19)14-9-10-8-11(17)2-5-13(10)20-14/h2,5,8-9,12H,1,3-4,7,17H2.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide?
5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61127110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).