N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide

C23H29N3O2 — CID 68619075

IUPACN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3
InChIKeyJEZZOXUHDIEEFG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.61
Rot. Bonds7

About N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide

N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide (PubChem CID 68619075) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
PubChem CID68619075
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1
InChIInChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3
InChIKeyJEZZOXUHDIEEFG-UHFFFAOYSA-N
XLogP3.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide
CID 68618268
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 15985298
N,1-dimethyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 172881291
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,4,5-trimethyl-1,2-oxazole-3-carboxamide
CID 90993702
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyridine-3-carboxamide
CID 128993290
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;methylcyclopropane
CID 68619466
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 45207854

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide (CID 68619075) is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide is CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
The InChIKey is JEZZOXUHDIEEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(23(27)20-5-4-10-24-15-20)16-19-13-22(14-19)28-21-8-6-18(7-9-21)17-26-11-2-3-12-26/h4-10,15,19,22H,2-3,11-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide?
N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 68619075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).