N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide

C24H36N8O2 — CID 19846045

IUPACN-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide
SMILESCCN(CC)CC1CCCCN1CCNC(=O)N1c2ncccc2NC(=O)c2c1c(C)nn2C
InChIInChI=1S/C24H36N8O2/c1-5-30(6-2)16-18-10-7-8-14-31(18)15-13-26-24(34)32-20-17(3)28-29(4)21(20)23(33)27-19-11-9-12-25-22(19)32/h9,11-12,18H,5-8,10,13-16H2,1-4H3,(H,26,34)(H,27,33)
InChIKeyLOXMAWNOKQLRDR-UHFFFAOYSA-N
MW468.61 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide

N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide (PubChem CID 19846045) has the molecular formula C24H36N8O2 and a molecular weight of 468.61 g/mol. Its IUPAC name is N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide
PubChem CID19846045
Molecular FormulaC24H36N8O2
Molecular Weight468.61 g/mol
Exact Mass468.30
IUPAC NameN-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide
SMILESCCN(CC)CC1CCCCN1CCNC(=O)N1c2ncccc2NC(=O)c2c1c(C)nn2C
InChIInChI=1S/C24H36N8O2/c1-5-30(6-2)16-18-10-7-8-14-31(18)15-13-26-24(34)32-20-17(3)28-29(4)21(20)23(33)27-19-11-9-12-25-22(19)32/h9,11-12,18H,5-8,10,13-16H2,1-4H3,(H,26,34)(H,27,33)
InChIKeyLOXMAWNOKQLRDR-UHFFFAOYSA-N
XLogP2.73
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide with MolForge

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Related Compounds

N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-7-fluoro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 67935578
N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-8-fluoro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 19846022
N-[3-[2-[(dimethylamino)methyl]piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 14210031
2-chloro-N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 19845983
10-bromo-11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156753
N-[3-[2-(diethylaminomethyl)piperidin-1-yl]propyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411121
N-[2-(2-methylpiperidin-1-yl)ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide;N-propylpropan-1-amine
CID 68865614
N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1]benzazepine-11-carboxamide
CID 70411572
N-[2-[4-[3-(diethylamino)propyl]piperidin-1-yl]ethyl]-9-methyl-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
CID 14210072
11-[2-[2-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374298
9-chloro-11-[2-[2-[[ethyl(methyl)amino]methyl]azepan-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70357673
11-[2-[2-[(butan-2-ylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70475556

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide?
The IUPAC name of N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide (CID 19846045) is N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide?
The canonical SMILES for N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide is CCN(CC)CC1CCCCN1CCNC(=O)N1c2ncccc2NC(=O)c2c1c(C)nn2C.
What is the InChIKey of N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide?
The InChIKey is LOXMAWNOKQLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O2/c1-5-30(6-2)16-18-10-7-8-14-31(18)15-13-26-24(34)32-20-17(3)28-29(4)21(20)23(33)27-19-11-9-12-25-22(19)32/h9,11-12,18H,5-8,10,13-16H2,1-4H3,(H,26,34)(H,27,33).
What are the key properties of N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide?
N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide has a molecular weight of 468.61 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylaminomethyl)piperidin-1-yl]ethyl]-4,6-dimethyl-8-oxo-2,5,6,9,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-2-carboxamide is sourced from PubChem (CID 19846045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).