N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride

C20H28ClN3O3 — CID 154897935

IUPACN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
SMILESCOc1cc2c(cc1C(=O)N[C@H]1CN(CC(N)=O)C[C@@H]1C1CC1)CCC2.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-26-18-8-14-4-2-3-13(14)7-15(18)20(25)22-17-10-23(11-19(21)24)9-16(17)12-5-6-12;/h7-8,12,16-17H,2-6,9-11H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyZSMYQTVBQKVJTR-PPPUBMIESA-N
MW393.92 g/mol
LogP1.53
Rot. Bonds6

About N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride

N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride (PubChem CID 154897935) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
PubChem CID154897935
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
SMILESCOc1cc2c(cc1C(=O)N[C@H]1CN(CC(N)=O)C[C@@H]1C1CC1)CCC2.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-26-18-8-14-4-2-3-13(14)7-15(18)20(25)22-17-10-23(11-19(21)24)9-16(17)12-5-6-12;/h7-8,12,16-17H,2-6,9-11H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyZSMYQTVBQKVJTR-PPPUBMIESA-N
XLogP1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
CID 133122454
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
CID 72904594
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 164629006
2-[(3S,4R)-3-cyclopropyl-4-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]acetamide
CID 72904252
N-[(3S,4R)-1-(3-amino-3-oxopropyl)-4-cyclopropylpyrrolidin-3-yl]-4,5-dimethylthiophene-2-carboxamide
CID 133123351
N-[(3S,4R)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 133127632
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-2,4-dimethoxybenzamide;hydrochloride
CID 14097661
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 136664973
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 72901743

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride (CID 154897935) is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride is COc1cc2c(cc1C(=O)N[C@H]1CN(CC(N)=O)C[C@@H]1C1CC1)CCC2.Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
The InChIKey is ZSMYQTVBQKVJTR-PPPUBMIESA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-26-18-8-14-4-2-3-13(14)7-15(18)20(25)22-17-10-23(11-19(21)24)9-16(17)12-5-6-12;/h7-8,12,16-17H,2-6,9-11H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride?
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride is sourced from PubChem (CID 154897935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).