N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C19H23N3O2 — CID 166619185

IUPACN-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C19H23N3O2/c1-2-24-18-8-4-3-7-17(18)21-19(23)22-11-9-16(14-22)12-15-6-5-10-20-13-15/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,21,23)
InChIKeyRMRPZAORCPNPJW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.58
Rot. Bonds5

About N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 166619185) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID166619185
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(Cc2cccnc2)C1
InChIInChI=1S/C19H23N3O2/c1-2-24-18-8-4-3-7-17(18)21-19(23)22-11-9-16(14-22)12-15-6-5-10-20-13-15/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,21,23)
InChIKeyRMRPZAORCPNPJW-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
1-(2-ethoxyphenyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624881
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494087
3-benzyl-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 126768823
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
N-(2-ethoxyphenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637583
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484
(3R)-N-(2-ethoxyphenyl)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129417822
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 166619185) is N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(Cc2cccnc2)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is RMRPZAORCPNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-18-8-4-3-7-17(18)21-19(23)22-11-9-16(14-22)12-15-6-5-10-20-13-15/h3-8,10,13,16H,2,9,11-12,14H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166619185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).