N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C21H36ClN5O2 — CID 120843183

IUPACN-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCCN(C)c1ccc(CN2CCCC(CNC(=O)C3CCCN3)C2)cn1.Cl
InChIInChI=1S/C21H35N5O2.ClH/c1-25(11-12-28-2)20-8-7-18(13-23-20)16-26-10-4-5-17(15-26)14-24-21(27)19-6-3-9-22-19;/h7-8,13,17,19,22H,3-6,9-12,14-16H2,1-2H3,(H,24,27);1H
InChIKeyREGHFBLXNLDWCR-UHFFFAOYSA-N
MW426.01 g/mol
LogP1.67
Rot. Bonds9

About N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120843183) has the molecular formula C21H36ClN5O2 and a molecular weight of 426.01 g/mol. Its IUPAC name is N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120843183
Molecular FormulaC21H36ClN5O2
Molecular Weight426.01 g/mol
Exact Mass425.26
IUPAC NameN-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCOCCN(C)c1ccc(CN2CCCC(CNC(=O)C3CCCN3)C2)cn1.Cl
InChIInChI=1S/C21H35N5O2.ClH/c1-25(11-12-28-2)20-8-7-18(13-23-20)16-26-10-4-5-17(15-26)14-24-21(27)19-6-3-9-22-19;/h7-8,13,17,19,22H,3-6,9-12,14-16H2,1-2H3,(H,24,27);1H
InChIKeyREGHFBLXNLDWCR-UHFFFAOYSA-N
XLogP1.67
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.01
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-N-[[(3R)-1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 98887072
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
N-[[6-(dimethylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850310
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
N-[[1-[(3-chloro-4-nitrophenyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843107
N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 137077057
N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843136
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843187
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147
N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843128

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120843183) is N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is COCCN(C)c1ccc(CN2CCCC(CNC(=O)C3CCCN3)C2)cn1.Cl.
What is the InChIKey of N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is REGHFBLXNLDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2.ClH/c1-25(11-12-28-2)20-8-7-18(13-23-20)16-26-10-4-5-17(15-26)14-24-21(27)19-6-3-9-22-19;/h7-8,13,17,19,22H,3-6,9-12,14-16H2,1-2H3,(H,24,27);1H.
What are the key properties of N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 426.01 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120843183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).