N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide

C24H32N4O2 — CID 74422312

IUPACN-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCc3cccc(N4CCN(C)CC4)c3C2)cn1
InChIInChI=1S/C24H32N4O2/c1-17(2)30-23-10-8-19(16-25-23)24(29)26-20-9-7-18-5-4-6-22(21(18)15-20)28-13-11-27(3)12-14-28/h4-6,8,10,16-17,20H,7,9,11-15H2,1-3H3,(H,26,29)
InChIKeyNRRNAOLDLCAQED-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.91
Rot. Bonds5

About N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide

N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 74422312) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID74422312
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCc3cccc(N4CCN(C)CC4)c3C2)cn1
InChIInChI=1S/C24H32N4O2/c1-17(2)30-23-10-8-19(16-25-23)24(29)26-20-9-7-18-5-4-6-22(21(18)15-20)28-13-11-27(3)12-14-28/h4-6,8,10,16-17,20H,7,9,11-15H2,1-3H3,(H,26,29)
InChIKeyNRRNAOLDLCAQED-UHFFFAOYSA-N
XLogP2.91
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopentyloxy-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 74421931
6-propan-2-yloxy-N-[(2R)-8-pyridin-4-yl-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 66813834
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-pyrrol-1-ylbenzamide
CID 54551314
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
[4-[[(2S)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25055227
2-methyl-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475786
2-methyl-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54135218
N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]butanamide
CID 54468521
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-propan-2-yloxybenzamide
CID 25054984
N-[8-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
CID 18475701
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
CID 68791499

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide (CID 74422312) is N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NC2CCc3cccc(N4CCN(C)CC4)c3C2)cn1.
What is the InChIKey of N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is NRRNAOLDLCAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17(2)30-23-10-8-19(16-25-23)24(29)26-20-9-7-18-5-4-6-22(21(18)15-20)28-13-11-27(3)12-14-28/h4-6,8,10,16-17,20H,7,9,11-15H2,1-3H3,(H,26,29).
What are the key properties of N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 74422312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).