N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

C21H27N3O2 — CID 87006691

IUPACN-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-7-4-6-18(14-19)16(3)23-21(25)24-13-5-8-20(24)17-9-11-22-12-10-17/h4,6-7,9-12,14-16,20H,5,8,13H2,1-3H3,(H,23,25)
InChIKeyIYRQTHDNSIZPTG-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.48
Rot. Bonds5

About N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 87006691) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID87006691
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C21H27N3O2/c1-15(2)26-19-7-4-6-18(14-19)16(3)23-21(25)24-13-5-8-20(24)17-9-11-22-12-10-17/h4,6-7,9-12,14-16,20H,5,8,13H2,1-3H3,(H,23,25)
InChIKeyIYRQTHDNSIZPTG-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124872162
(3R)-1-N-propan-2-yl-3-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950152
(3R)-1-N-propan-2-yl-3-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 51950150
2-(2,4-dimethoxyphenyl)-N-[1-(3-ethoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 60600352
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 55799797
(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94801401
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
(8aS,12aR,13aR)-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 70368041
(8aR,12aS,13aR)-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 70367836
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259
(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 87006691) is N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)N2CCCC2c2ccncc2)c1.
What is the InChIKey of N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is IYRQTHDNSIZPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)26-19-7-4-6-18(14-19)16(3)23-21(25)24-13-5-8-20(24)17-9-11-22-12-10-17/h4,6-7,9-12,14-16,20H,5,8,13H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 87006691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).