N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H35N5O3 — CID 169490025

IUPACN,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCOC34)CC2)c(C)n1
InChIInChI=1S/C24H35N5O3/c1-15-21(6-5-19(26-15)24(31)25-2)29-10-8-28(9-11-29)14-16-3-4-17-20(13-16)27-23(30)18-7-12-32-22(17)18/h5-6,16-18,20,22H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyZRBWTGNFGMGOOL-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.19
Rot. Bonds4

About N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 169490025) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID169490025
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCOC34)CC2)c(C)n1
InChIInChI=1S/C24H35N5O3/c1-15-21(6-5-19(26-15)24(31)25-2)29-10-8-28(9-11-29)14-16-3-4-17-20(13-16)27-23(30)18-7-12-32-22(17)18/h5-6,16-18,20,22H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyZRBWTGNFGMGOOL-UHFFFAOYSA-N
XLogP1.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 169490025) is N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCOC34)CC2)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZRBWTGNFGMGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-15-21(6-5-19(26-15)24(31)25-2)29-10-8-28(9-11-29)14-16-3-4-17-20(13-16)27-23(30)18-7-12-32-22(17)18/h5-6,16-18,20,22H,3-4,7-14H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[4-[(4-oxo-3,3a,5,5a,6,7,8,9,9a,9b-decahydro-2H-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169490025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).