3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide

C21H32N2O2 — CID 91909546

IUPAC3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC12CCC=C1N(CC1CC1)C(=O)CC2
InChIInChI=1S/C21H32N2O2/c24-19(10-9-16-4-1-2-5-16)22-15-21-12-3-6-18(21)23(14-17-7-8-17)20(25)11-13-21/h6,16-17H,1-5,7-15H2,(H,22,24)
InChIKeyGBVUUTYPJHYFFX-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.77
Rot. Bonds7

About 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide

3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide (PubChem CID 91909546) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide
PubChem CID91909546
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCC12CCC=C1N(CC1CC1)C(=O)CC2
InChIInChI=1S/C21H32N2O2/c24-19(10-9-16-4-1-2-5-16)22-15-21-12-3-6-18(21)23(14-17-7-8-17)20(25)11-13-21/h6,16-17H,1-5,7-15H2,(H,22,24)
InChIKeyGBVUUTYPJHYFFX-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide (CID 91909546) is 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide is O=C(CCC1CCCC1)NCC12CCC=C1N(CC1CC1)C(=O)CC2.
What is the InChIKey of 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide?
The InChIKey is GBVUUTYPJHYFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-19(10-9-16-4-1-2-5-16)22-15-21-12-3-6-18(21)23(14-17-7-8-17)20(25)11-13-21/h6,16-17H,1-5,7-15H2,(H,22,24).
What are the key properties of 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide?
3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide has a molecular weight of 344.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]propanamide is sourced from PubChem (CID 91909546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).