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

C19H28N2O3 — CID 91920222

IUPACN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC12CCC=C1N(CC1CC1)C(=O)CC2)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c22-17-5-9-19(13-20-18(23)15-6-10-24-11-7-15)8-1-2-16(19)21(17)12-14-3-4-14/h2,14-15H,1,3-13H2,(H,20,23)
InChIKeyWMYBKWRKYUIOFR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.23
Rot. Bonds5

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

N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide (PubChem CID 91920222) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide
PubChem CID91920222
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide
SMILESO=C(NCC12CCC=C1N(CC1CC1)C(=O)CC2)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c22-17-5-9-19(13-20-18(23)15-6-10-24-11-7-15)8-1-2-16(19)21(17)12-14-3-4-14/h2,14-15H,1,3-13H2,(H,20,23)
InChIKeyWMYBKWRKYUIOFR-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide (CID 91920222) is N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide is O=C(NCC12CCC=C1N(CC1CC1)C(=O)CC2)C1CCOCC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide?
The InChIKey is WMYBKWRKYUIOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-17-5-9-19(13-20-18(23)15-6-10-24-11-7-15)8-1-2-16(19)21(17)12-14-3-4-14/h2,14-15H,1,3-13H2,(H,20,23).
What are the key properties of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide?
N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 91920222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).