N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride

C38H49ClN6O3 — CID 167664290

IUPACN,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
SMILESCc1ccc(O[C@H]2CCN(c3ccccc3C(=O)N(C)C)C2)nc1.Cc1ccc(O[C@H]2CCN(c3ccccc3CN(C)C)C2)nc1.Cl
InChIInChI=1S/C19H23N3O2.C19H25N3O.ClH/c1-14-8-9-18(20-12-14)24-15-10-11-22(13-15)17-7-5-4-6-16(17)19(23)21(2)3;1-15-8-9-19(20-12-15)23-17-10-11-22(14-17)18-7-5-4-6-16(18)13-21(2)3;/h4-9,12,15H,10-11,13H2,1-3H3;4-9,12,17H,10-11,13-14H2,1-3H3;1H/t15-;17-;/m00./s1
InChIKeyQROQXGQJIKFRDX-PQGBKRSHSA-N
MW673.30 g/mol
LogP6.28
Rot. Bonds9

About N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride

N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167664290) has the molecular formula C38H49ClN6O3 and a molecular weight of 673.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
PubChem CID167664290
Molecular FormulaC38H49ClN6O3
Molecular Weight673.30 g/mol
Exact Mass672.36
IUPAC NameN,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride
SMILESCc1ccc(O[C@H]2CCN(c3ccccc3C(=O)N(C)C)C2)nc1.Cc1ccc(O[C@H]2CCN(c3ccccc3CN(C)C)C2)nc1.Cl
InChIInChI=1S/C19H23N3O2.C19H25N3O.ClH/c1-14-8-9-18(20-12-14)24-15-10-11-22(13-15)17-7-5-4-6-16(17)19(23)21(2)3;1-15-8-9-19(20-12-15)23-17-10-11-22(14-17)18-7-5-4-6-16(18)13-21(2)3;/h4-9,12,15H,10-11,13H2,1-3H3;4-9,12,17H,10-11,13-14H2,1-3H3;1H/t15-;17-;/m00./s1
InChIKeyQROQXGQJIKFRDX-PQGBKRSHSA-N
XLogP6.28
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.30
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride (CID 167664290) is N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride is Cc1ccc(O[C@H]2CCN(c3ccccc3C(=O)N(C)C)C2)nc1.Cc1ccc(O[C@H]2CCN(c3ccccc3CN(C)C)C2)nc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
The InChIKey is QROQXGQJIKFRDX-PQGBKRSHSA-N. The full InChI is InChI=1S/C19H23N3O2.C19H25N3O.ClH/c1-14-8-9-18(20-12-14)24-15-10-11-22(13-15)17-7-5-4-6-16(17)19(23)21(2)3;1-15-8-9-19(20-12-15)23-17-10-11-22(14-17)18-7-5-4-6-16(18)13-21(2)3;/h4-9,12,15H,10-11,13H2,1-3H3;4-9,12,17H,10-11,13-14H2,1-3H3;1H/t15-;17-;/m00./s1.
What are the key properties of N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride?
N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 673.30 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide;N,N-dimethyl-1-[2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167664290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).