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

C17H26N2O3 — CID 91909542

IUPACN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC12CCC=C1N(CC1CC1)C(=O)CC2
InChIInChI=1S/C17H26N2O3/c1-22-10-7-15(20)18-12-17-8-2-3-14(17)19(11-13-4-5-13)16(21)6-9-17/h3,13H,2,4-12H2,1H3,(H,18,20)
InChIKeyWRIOCDMRPZLGDQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.84
Rot. Bonds7

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

N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide (PubChem CID 91909542) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide
PubChem CID91909542
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC12CCC=C1N(CC1CC1)C(=O)CC2
InChIInChI=1S/C17H26N2O3/c1-22-10-7-15(20)18-12-17-8-2-3-14(17)19(11-13-4-5-13)16(21)6-9-17/h3,13H,2,4-12H2,1H3,(H,18,20)
InChIKeyWRIOCDMRPZLGDQ-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.84
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]-3-methoxypropanamide?
The IUPAC name of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide (CID 91909542) is N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide is COCCC(=O)NCC12CCC=C1N(CC1CC1)C(=O)CC2.
What is the InChIKey of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide?
The InChIKey is WRIOCDMRPZLGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-10-7-15(20)18-12-17-8-2-3-14(17)19(11-13-4-5-13)16(21)6-9-17/h3,13H,2,4-12H2,1H3,(H,18,20).
What are the key properties of N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide?
N-[[1-(cyclopropylmethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl]methyl]-3-methoxypropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.84, 7 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]-3-methoxypropanamide is sourced from PubChem (CID 91909542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).