N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride

C19H22ClN3O3 — CID 119613935

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1
InChIInChI=1S/C19H21N3O3.ClH/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23;/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24);1H
InChIKeyYOYWZSRVXLVDPB-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.26
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride (PubChem CID 119613935) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
PubChem CID119613935
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1
InChIInChI=1S/C19H21N3O3.ClH/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23;/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24);1H
InChIKeyYOYWZSRVXLVDPB-UHFFFAOYSA-N
XLogP2.26
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride (CID 119613935) is N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1occc1CN1C(=O)Cc2ccccc21)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?
The InChIKey is YOYWZSRVXLVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c20-10-15(12-5-6-12)21-19(24)18-14(7-8-25-18)11-22-16-4-2-1-3-13(16)9-17(22)23;/h1-4,7-8,12,15H,5-6,9-11,20H2,(H,21,24);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119613935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).