N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C25H38N6O2 — CID 154584591

IUPACN-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C25H38N6O2/c1-2-26-24(32)18-6-8-22(28-15-18)31-12-10-30(11-13-31)16-17-5-7-19-21(14-17)29-25(33)20-4-3-9-27-23(19)20/h6,8,15,17,19-21,23,27H,2-5,7,9-14,16H2,1H3,(H,26,32)(H,29,33)
InChIKeyTWIXDFHDPMDAKP-UHFFFAOYSA-N
MW454.62 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 154584591) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID154584591
Molecular FormulaC25H38N6O2
Molecular Weight454.62 g/mol
Exact Mass454.31
IUPAC NameN-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C25H38N6O2/c1-2-26-24(32)18-6-8-22(28-15-18)31-12-10-30(11-13-31)16-17-5-7-19-21(14-17)29-25(33)20-4-3-9-27-23(19)20/h6,8,15,17,19-21,23,27H,2-5,7,9-14,16H2,1H3,(H,26,32)(H,29,33)
InChIKeyTWIXDFHDPMDAKP-UHFFFAOYSA-N
XLogP1.24
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-[[4-[5-(methoxymethyl)-2-pyridinyl]piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 154584623
8-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methyl]-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 154584650
2-fluoro-4-[(2R)-2-methyl-4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzonitrile
CID 154584609
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
6-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]pyridine-3-carbonyl iodide
CID 166765068
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 56712088
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 154584591) is N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1.
What is the InChIKey of N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is TWIXDFHDPMDAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c1-2-26-24(32)18-6-8-22(28-15-18)31-12-10-30(11-13-31)16-17-5-7-19-21(14-17)29-25(33)20-4-3-9-27-23(19)20/h6,8,15,17,19-21,23,27H,2-5,7,9-14,16H2,1H3,(H,26,32)(H,29,33).
What are the key properties of N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(5-oxo-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154584591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).