N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

C22H27N3O2 — CID 139004178

IUPACN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2(CNC(=O)N3CCCC3c3cccc(C)n3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-3-9-19(24-16)20-10-5-13-25(20)21(26)23-15-22(11-12-22)17-7-4-8-18(14-17)27-2/h3-4,6-9,14,20H,5,10-13,15H2,1-2H3,(H,23,26)
InChIKeyLCNPLHLTLRBYBR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.98
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 139004178) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID139004178
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2(CNC(=O)N3CCCC3c3cccc(C)n3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-3-9-19(24-16)20-10-5-13-25(20)21(26)23-15-22(11-12-22)17-7-4-8-18(14-17)27-2/h3-4,6-9,14,20H,5,10-13,15H2,1-2H3,(H,23,26)
InChIKeyLCNPLHLTLRBYBR-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 139004180
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102560985
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 136586418
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
3-(3-methoxy-N-methylanilino)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265428
2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
CID 139000386
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
2-[(3-methoxyphenyl)methyl-methylamino]-1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835797
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458
(2R)-N-[(3-methoxyphenyl)methyl]-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95056302

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 139004178) is N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is COc1cccc(C2(CNC(=O)N3CCCC3c3cccc(C)n3)CC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is LCNPLHLTLRBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-6-3-9-19(24-16)20-10-5-13-25(20)21(26)23-15-22(11-12-22)17-7-4-8-18(14-17)27-2/h3-4,6-9,14,20H,5,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.98, 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-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 139004178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).