N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C20H32N4O2 — CID 72922993

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)C2CCNC2)CC1
InChIInChI=1S/C20H32N4O2/c1-26-13-12-23-10-5-18(6-11-23)16-24(15-17-2-7-21-8-3-17)20(25)19-4-9-22-14-19/h2-3,7-8,18-19,22H,4-6,9-16H2,1H3
InChIKeyYHZACMVQCWHPMY-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.38
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72922993) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72922993
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN1CCC(CN(Cc2ccncc2)C(=O)C2CCNC2)CC1
InChIInChI=1S/C20H32N4O2/c1-26-13-12-23-10-5-18(6-11-23)16-24(15-17-2-7-21-8-3-17)20(25)19-4-9-22-14-19/h2-3,7-8,18-19,22H,4-6,9-16H2,1H3
InChIKeyYHZACMVQCWHPMY-UHFFFAOYSA-N
XLogP1.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 72864451
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 26402693
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methylsulfanyl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 42394878
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 72928763
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
N-[benzyl(methyl)sulfamoyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylmethanamine
CID 131941133
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 72922993) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is COCCN1CCC(CN(Cc2ccncc2)C(=O)C2CCNC2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is YHZACMVQCWHPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-26-13-12-23-10-5-18(6-11-23)16-24(15-17-2-7-21-8-3-17)20(25)19-4-9-22-14-19/h2-3,7-8,18-19,22H,4-6,9-16H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72922993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).