(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone

C13H16N2O — CID 174960082

IUPAC(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC1c1ccncc1)N1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(15-7-1-2-8-15)12-9-11(12)10-3-5-14-6-4-10/h3-6,11-12H,1-2,7-9H2
InChIKeyCUUMCOWBAUEPCB-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.81
Rot. Bonds2

About (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone

(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone (PubChem CID 174960082) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
PubChem CID174960082
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC1c1ccncc1)N1CCCC1
InChIInChI=1S/C13H16N2O/c16-13(15-7-1-2-8-15)12-9-11(12)10-3-5-14-6-4-10/h3-6,11-12H,1-2,7-9H2
InChIKeyCUUMCOWBAUEPCB-UHFFFAOYSA-N
XLogP1.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086
[(3R,4S)-1-methyl-4-pyridin-4-ylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 110203913
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 94532811
N-[(1S,3S,4S)-3-(4-fluorophenyl)-4-(pyrrolidine-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
CID 146120407
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
[2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56820079
1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702063
1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702078

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone (CID 174960082) is (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone is O=C(C1CC1c1ccncc1)N1CCCC1.
What is the InChIKey of (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone?
The InChIKey is CUUMCOWBAUEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(15-7-1-2-8-15)12-9-11(12)10-3-5-14-6-4-10/h3-6,11-12H,1-2,7-9H2.
What are the key properties of (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone?
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone has a molecular weight of 216.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 174960082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).