N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C19H23N3O2 — CID 86860831

IUPACN-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-20-19(23)18-6-4-12-22(18)13-15-7-9-17(10-8-15)24-14-16-5-2-3-11-21-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,20,23)
InChIKeyXUPSEKBTVBOOQD-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 86860831) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID86860831
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2/c1-20-19(23)18-6-4-12-22(18)13-15-7-9-17(10-8-15)24-14-16-5-2-3-11-21-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,20,23)
InChIKeyXUPSEKBTVBOOQD-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 95569682
N-methyl-1-[(3-pyridin-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 75438609
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 124750616
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 86860831) is N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XUPSEKBTVBOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-19(23)18-6-4-12-22(18)13-15-7-9-17(10-8-15)24-14-16-5-2-3-11-21-16/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,20,23).
What are the key properties of N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86860831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).