N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

C19H24Cl2N4O2 — CID 120742807

IUPACN-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22N4O2.2ClH/c20-10-15-12-23(13-16(15)14-6-2-1-3-7-14)18(24)11-22-19(25)17-8-4-5-9-21-17;;/h1-9,15-16H,10-13,20H2,(H,22,25);2*1H/t15-,16+;;/m1../s1
InChIKeyWKSZUEDLAWEDNS-AFMFUHLNSA-N
MW411.33 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride

N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 120742807) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID120742807
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC NameN-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22N4O2.2ClH/c20-10-15-12-23(13-16(15)14-6-2-1-3-7-14)18(24)11-22-19(25)17-8-4-5-9-21-17;;/h1-9,15-16H,10-13,20H2,(H,22,25);2*1H/t15-,16+;;/m1../s1
InChIKeyWKSZUEDLAWEDNS-AFMFUHLNSA-N
XLogP1.86
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide;dihydrochloride
CID 120743367
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 120744894
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 120744936
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120745404
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 120742751
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 120743530
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 120742947
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-diphenylpropan-1-one;hydrochloride
CID 120746010
N-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3-oxopropyl]-2-phenylacetamide;hydrochloride
CID 120743189
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120744403
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 120744952

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride (CID 120742807) is N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@H]1c1ccccc1.
What is the InChIKey of N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is WKSZUEDLAWEDNS-AFMFUHLNSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c20-10-15-12-23(13-16(15)14-6-2-1-3-7-14)18(24)11-22-19(25)17-8-4-5-9-21-17;;/h1-9,15-16H,10-13,20H2,(H,22,25);2*1H/t15-,16+;;/m1../s1.
What are the key properties of N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride?
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120742807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).