N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide

C19H23N3O3 — CID 120804617

IUPACN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C19H23N3O3/c1-19(12-20)9-10-22(13-19)17(23)14-6-3-4-7-15(14)21(2)18(24)16-8-5-11-25-16/h3-8,11H,9-10,12-13,20H2,1-2H3
InChIKeyRZGBZYXIULDREI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.37
Rot. Bonds4

About N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide

N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 120804617) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID120804617
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C19H23N3O3/c1-19(12-20)9-10-22(13-19)17(23)14-6-3-4-7-15(14)21(2)18(24)16-8-5-11-25-16/h3-8,11H,9-10,12-13,20H2,1-2H3
InChIKeyRZGBZYXIULDREI-UHFFFAOYSA-N
XLogP2.37
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(N-methylanilino)phenyl]methanone;hydrochloride
CID 120810010
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
CID 119418147
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 120804331
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone;hydrochloride
CID 120810274
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-[2-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 119643351

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide (CID 120804617) is N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is RZGBZYXIULDREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(12-20)9-10-22(13-19)17(23)14-6-3-4-7-15(14)21(2)18(24)16-8-5-11-25-16/h3-8,11H,9-10,12-13,20H2,1-2H3.
What are the key properties of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide?
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 120804617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).