N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide

C21H25N3O2 — CID 139004180

IUPACN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1cccc(C2(CNC(=O)N3CCCC3c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-26-18-7-2-6-17(13-18)21(9-10-21)15-23-20(25)24-12-4-8-19(24)16-5-3-11-22-14-16/h2-3,5-7,11,13-14,19H,4,8-10,12,15H2,1H3,(H,23,25)
InChIKeyUKQMUWBWYLLDLF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide

N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 139004180) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID139004180
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1cccc(C2(CNC(=O)N3CCCC3c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-26-18-7-2-6-17(13-18)21(9-10-21)15-23-20(25)24-12-4-8-19(24)16-5-3-11-22-14-16/h2-3,5-7,11,13-14,19H,4,8-10,12,15H2,1H3,(H,23,25)
InChIKeyUKQMUWBWYLLDLF-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
N-[2-[[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]amino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205678
(2S)-N-(3-cyclopentyloxypropyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124572131
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
2-(3-methoxyphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 51084199
(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 136586418
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide (CID 139004180) is N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide is COc1cccc(C2(CNC(=O)N3CCCC3c3cccnc3)CC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is UKQMUWBWYLLDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-18-7-2-6-17(13-18)21(9-10-21)15-23-20(25)24-12-4-8-19(24)16-5-3-11-22-14-16/h2-3,5-7,11,13-14,19H,4,8-10,12,15H2,1H3,(H,23,25).
What are the key properties of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide?
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139004180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).