N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

C21H30N4O3 — CID 155959712

IUPACN-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cc4c([nH]c3=O)CCCCC4)C2=O)CC1
InChIInChI=1S/C21H30N4O3/c1-24-10-7-15(8-11-24)25-12-9-18(21(25)28)23-20(27)16-13-14-5-3-2-4-6-17(14)22-19(16)26/h13,15,18H,2-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyZTAJPNCTMYHELJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.07
Rot. Bonds3

About N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (PubChem CID 155959712) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
PubChem CID155959712
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESCN1CCC(N2CCC(NC(=O)c3cc4c([nH]c3=O)CCCCC4)C2=O)CC1
InChIInChI=1S/C21H30N4O3/c1-24-10-7-15(8-11-24)25-12-9-18(21(25)28)23-20(27)16-13-14-5-3-2-4-6-17(14)22-19(16)26/h13,15,18H,2-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyZTAJPNCTMYHELJ-UHFFFAOYSA-N
XLogP1.07
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (CID 155959712) is N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is CN1CCC(N2CCC(NC(=O)c3cc4c([nH]c3=O)CCCCC4)C2=O)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The InChIKey is ZTAJPNCTMYHELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-24-10-7-15(8-11-24)25-12-9-18(21(25)28)23-20(27)16-13-14-5-3-2-4-6-17(14)22-19(16)26/h13,15,18H,2-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)-2-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is sourced from PubChem (CID 155959712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).