N-methyl-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

C24H36N6O2 — CID 154584590

IUPACN-methyl-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
SMILESCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C24H36N6O2/c1-25-23(31)17-5-7-21(27-14-17)30-11-9-29(10-12-30)15-16-4-6-18-20(13-16)28-24(32)19-3-2-8-26-22(18)19/h5,7,14,16,18-20,22,26H,2-4,6,8-13,15H2,1H3,(H,25,31)(H,28,32)
InChIKeyREHMFDCBNVKNLG-UHFFFAOYSA-N
MW440.59 g/mol
LogP0.85
Rot. Bonds4

About N-methyl-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-methyl-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 154584590) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-methyl-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-methyl-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 CID154584590
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC NameN-methyl-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
SMILESCNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1
InChIInChI=1S/C24H36N6O2/c1-25-23(31)17-5-7-21(27-14-17)30-11-9-29(10-12-30)15-16-4-6-18-20(13-16)28-24(32)19-3-2-8-26-22(18)19/h5,7,14,16,18-20,22,26H,2-4,6,8-13,15H2,1H3,(H,25,31)(H,28,32)
InChIKeyREHMFDCBNVKNLG-UHFFFAOYSA-N
XLogP0.85
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-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-methyl-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 154584590) is N-methyl-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-methyl-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-methyl-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 CNC(=O)c1ccc(N2CCN(CC3CCC4C(C3)NC(=O)C3CCCNC34)CC2)nc1.
What is the InChIKey of N-methyl-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 REHMFDCBNVKNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-25-23(31)17-5-7-21(27-14-17)30-11-9-29(10-12-30)15-16-4-6-18-20(13-16)28-24(32)19-3-2-8-26-22(18)19/h5,7,14,16,18-20,22,26H,2-4,6,8-13,15H2,1H3,(H,25,31)(H,28,32).
What are the key properties of N-methyl-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-methyl-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 440.59 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 154584590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).