1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C23H27N3O3 — CID 45216987

IUPAC1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC1(CCC(=O)N2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)CC1
InChIInChI=1S/C23H27N3O3/c1-23(12-13-23)11-10-21(27)26-15-5-8-19(26)22(28)25-18-7-2-3-9-20(18)29-17-6-4-14-24-16-17/h2-4,6-7,9,14,16,19H,5,8,10-13,15H2,1H3,(H,25,28)
InChIKeyAPTMKLOMHDOQDR-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.38
Rot. Bonds7

About 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45216987) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45216987
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCC1(CCC(=O)N2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)CC1
InChIInChI=1S/C23H27N3O3/c1-23(12-13-23)11-10-21(27)26-15-5-8-19(26)22(28)25-18-7-2-3-9-20(18)29-17-6-4-14-24-16-17/h2-4,6-7,9,14,16,19H,5,8,10-13,15H2,1H3,(H,25,28)
InChIKeyAPTMKLOMHDOQDR-UHFFFAOYSA-N
XLogP4.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
N-[3-(Dimethylamino)propyl]-N'-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}ethanediamide
CID 16017419
1-[(4,5-dimethyl-2-furyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide
CID 24819239
4-(2-Methoxyphenyl)-N-(4-pyridinylmethyl)-1-piperazinehexanamide
CID 25107652
1-(4-methylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]prolinamide
CID 45248164
(2R)-N-methyl-1-[2-[(4-methyl-3-pyridinyl)oxy]acetyl]-2,3-dihydroindole-2-carboxamide
CID 122192196
(6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14,19-pentazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
CID 134138824
N-Cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 110198985
1-(3-methylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24793250
1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 24817472
1-[(2E)-3-phenyl-2-propen-1-yl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24819332
(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 59596679

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45216987) is 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is CC1(CCC(=O)N2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)CC1.
What is the InChIKey of 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is APTMKLOMHDOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(12-13-23)11-10-21(27)26-15-5-8-19(26)22(28)25-18-7-2-3-9-20(18)29-17-6-4-14-24-16-17/h2-4,6-7,9,14,16,19H,5,8,10-13,15H2,1H3,(H,25,28).
What are the key properties of 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylcyclopropyl)propanoyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45216987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).