2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide

C20H29N3O3 — CID 156611555

IUPAC2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide
SMILESNC(=O)COCC1CN(C(=O)C2CCCCCC2)CC1c1ccccn1
InChIInChI=1S/C20H29N3O3/c21-19(24)14-26-13-16-11-23(12-17(16)18-9-5-6-10-22-18)20(25)15-7-3-1-2-4-8-15/h5-6,9-10,15-17H,1-4,7-8,11-14H2,(H2,21,24)
InChIKeyHXJANCRPBPNSNB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.10
Rot. Bonds6

About 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide

2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide (PubChem CID 156611555) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide
PubChem CID156611555
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide
SMILESNC(=O)COCC1CN(C(=O)C2CCCCCC2)CC1c1ccccn1
InChIInChI=1S/C20H29N3O3/c21-19(24)14-26-13-16-11-23(12-17(16)18-9-5-6-10-22-18)20(25)15-7-3-1-2-4-8-15/h5-6,9-10,15-17H,1-4,7-8,11-14H2,(H2,21,24)
InChIKeyHXJANCRPBPNSNB-UHFFFAOYSA-N
XLogP2.10
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
CID 156611551
2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 110203331
cyclopentyl-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134708862
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
2-[3-(2-pyridin-2-ylpiperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 131908358
cyclohexyl-[(3S,4S)-3-[[4-[cyclopropylmethyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
CID 505870
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
(3R)-3-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 97150223
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 120746309

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide?
The IUPAC name of 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide (CID 156611555) is 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide?
The canonical SMILES for 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide is NC(=O)COCC1CN(C(=O)C2CCCCCC2)CC1c1ccccn1.
What is the InChIKey of 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide?
The InChIKey is HXJANCRPBPNSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c21-19(24)14-26-13-16-11-23(12-17(16)18-9-5-6-10-22-18)20(25)15-7-3-1-2-4-8-15/h5-6,9-10,15-17H,1-4,7-8,11-14H2,(H2,21,24).
What are the key properties of 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide?
2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide has a molecular weight of 359.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cycloheptanecarbonyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]acetamide is sourced from PubChem (CID 156611555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).