N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C18H27N3O3 — CID 71894394

IUPACN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-21-6-7-24-14(11-21)9-19-17(22)15-8-13-4-3-5-16(13)20-18(15)23/h8,12,14H,3-7,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBFFSNDRUFDLMTL-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.95
Rot. Bonds5

About N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71894394) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71894394
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cc3c([nH]c2=O)CCC3)C1
InChIInChI=1S/C18H27N3O3/c1-12(2)10-21-6-7-24-14(11-21)9-19-17(22)15-8-13-4-3-5-16(13)20-18(15)23/h8,12,14H,3-7,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBFFSNDRUFDLMTL-UHFFFAOYSA-N
XLogP0.95
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71894394) is N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cc3c([nH]c2=O)CCC3)C1.
What is the InChIKey of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BFFSNDRUFDLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)10-21-6-7-24-14(11-21)9-19-17(22)15-8-13-4-3-5-16(13)20-18(15)23/h8,12,14H,3-7,9-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71894394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).