1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C19H30N2O2 — CID 59718804

IUPAC1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)C)c1=O)CCCCCC2
InChIInChI=1S/C19H30N2O2/c1-4-5-12-21-17-11-9-7-6-8-10-15(17)13-16(19(21)23)18(22)20-14(2)3/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyUACCBPYRSMYMSJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.45
Rot. Bonds5

About 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 59718804) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID59718804
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)C)c1=O)CCCCCC2
InChIInChI=1S/C19H30N2O2/c1-4-5-12-21-17-11-9-7-6-8-10-15(17)13-16(19(21)23)18(22)20-14(2)3/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyUACCBPYRSMYMSJ-UHFFFAOYSA-N
XLogP3.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 59718804) is 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NC(C)C)c1=O)CCCCCC2.
What is the InChIKey of 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is UACCBPYRSMYMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-5-12-21-17-11-9-7-6-8-10-15(17)13-16(19(21)23)18(22)20-14(2)3/h13-14H,4-12H2,1-3H3,(H,20,22).
What are the key properties of 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-N-propan-2-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 59718804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).